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Valeraldehyde can also be used as a raw material for fragrances, resin chemistry, and rubber accelerators.
Valeraldehyde is used as a gaseous standard in the study of the sorptive loss pattern for volatile compounds.
Valeraldehyde is used in flavoring compounds and as a rubber accelerator.
CAS Number: 110-62-3
EC Number / EINECS: 203-784-4
Chemical formula: C5H10O
Molar mass: 86.134 g·mol−1
SYNONYMS:
aldehyde C-5, amyl aldehyde, amylaldehyde, butyl formal, pentan-1-al, pentanal, N-pentanal, pentyl aldehyde, sucol B, valeral, N-valeraldehyde, valeraldehyde FCC, valeraldehyde, natural, valerianic aldehyde, valeric acid aldehyde, valeric aldehyde, N-valeric aldehyde, valericaldehyde, valeryl aldehyde, valerylaldehyde, Valeraldehyde, Pentanal, n-Valeraldehyde, n-Pentanal, Valeric aldehyde, Valerianic aldehyde, Valeral, Valeryl aldehyde, Amyl aldehyde, Amylaldehyde, Butyl formal, Valeric acid aldehyde, Pentaldehyde, Valeryldehyde, 1-Pentanal, Pentan-1-al, 1-Butanecarbaldehyde, Aldehyde C-5, Aldehyde C5, FEMA 3098, Valeraldehyd, n-Valeric aldehyde, n-Valericaldehyde, Aldehyde valerique, pentanal fema number 3098 n-valeraldehyde (natural) valeraldehyde (substance) butyl formal valerianic aldehyde valeryl aldehyde, Pentanal, Pentanaldehyde, Valeraldehyde, Valeric aldehyde, PENTANAL, N-PENTANAL, 1-pentanal, N-VALERALDEHYDE, FEMA 3098, AMYLALDEHYDE, Pentanal 95%, Valeraldehyd, VALERIC ALDEHYDE, Valerianic aldehyde, Valeraldehyde, n-Pentanal, n-Valeraldehyde, Valeral, Valerianic aldehyde, Valeric acid aldehyde, Valeric aldehyde, Valeryl aldehyde, n-C4H9CHO, Amyl aldehyde, Butyl formal, UN 2058, n-Valeric aldehyde, 1-Pentanal, Pentan-1-al, NSC 35404, Pentylaldehyde, pentanal (valeraldehyde), valderaldehyde, Valeraldehyde, PENTANAL, 110-62-3, n-Valeraldehyde, n-Pentanal, Valeric aldehyde, Valeral, Valeryl aldehyde, Amylaldehyde, Amyl aldehyde, Butyl formal, Valeric acid aldehyde, Valerylaldehyde, n-Valeric aldehyde, Valerianic aldehyde, FEMA No. 3098, FEMA Number 3098, DTXSID7021653, NSC-35404, B975S3014W, DTXCID001653, CHEBI:84069, RefChem:52381, 203-784-4, Pentyl aldehyde, 1-pentanal, pentan-1-al, MFCD00007026, NSC 35404, n-C4H9CHO, CHEMBL18602, Valeraldehyde(Pentanal), Pentanaldehyde, n-Valeraldehyde (natural), CCRIS 3220, HSDB 851, EINECS 203-784-4, UN2058, BRN 1616304, pentylaldehyde, AI3-16105, UNII-B975S3014W, pentan-1-one, Aldehydes, C5, n-BuCHO, Valeraldehyde, 97%, N-Valeraldehyde, 8CI, pentanal (valeraldehyde), PENTANAL [HSDB], Valeraldehyde [UN2058] [Flammable liquid], EC 203-784-4, VALERALDEHYDE [FCC], SCHEMBL2822, WLN: VH4, SCHEMBL28721, N-VALERALDEHYDE [MI], 4-01-00-03268 (Beilstein Handbook Reference), SCHEMBL356856, SCHEMBL506697, SCHEMBL919371, Valeraldehyde, glass-distilled, Valeraldehyde, >=97%, FG, N-VALERALDEHYDE [FHFI], SCHEMBL1387748, SCHEMBL2328195, SCHEMBL3972060, SCHEMBL9021402, SCHEMBL9063993, SCHEMBL13560414, SCHEMBL17492590, FEMA 3098, FAL 5:0, MSK1917, Valeraldehyde, analytical standard, NSC35404, STR03921, Tox21_300061, BDBM50028837, EBC-47568, LMFA06000251, AKOS000119170, DB01919, UN 2058, NCGC00091722-01, NCGC00091722-02, NCGC00253979-01, CAS-110-62-3, FV176693, PNO, NS00006977, V0001, EN300-19158, Valeraldehyde [UN2058] [Flammable liquid], F094967, Q420652, F2190-0583, Z104472992, InChI=1/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H
Valeraldehyde is a saturated fatty aldehyde composed from five carbons in a straight chain.
Valeraldehyde has a role as a plant metabolite.
Valeraldehyde is a colorless liquid.
Valeraldehyde is slightly soluble in water and less dense than water.
The flash point of Valeraldehyde is 54°F.
Valeraldehyde is slightly soluble in water.
Valeraldehyde, also known as pentanal, is a versatile aldehyde with a five-carbon chain that serves as a key intermediate in various chemical syntheses.
Valeraldehyde is recognized for its distinct, pleasant odor and is commonly utilized in the production of flavoring agents and fragrances, making it a valuable asset in the food and cosmetic industries.
Its reactivity allows Valeraldehyde to participate in a range of chemical reactions, including condensation and oxidation, which are essential in the synthesis of pharmaceuticals and agrochemicals.
In addition to its applications in flavor and fragrance formulations, valeraldehyde is also employed in the manufacture of plasticizers and solvents, enhancing the performance characteristics of various materials.
Researchers appreciate its utility in organic synthesis, where Valeraldehyde can be used to create more complex molecules.
With its favorable properties and broad applicability, valeraldehyde stands out as a crucial compound for professionals seeking reliable and effective solutions in their formulations.
Valeraldehyde is a straight-chain aliphatic aldehyde with five carbon atoms.
Valeraldehyde's systematic IUPAC name is pentanal, and its molecular structure can be represented as CH₃CH₂CH₂CH₂CHO.
Valeraldehyde belongs to the saturated fatty aldehyde family and contains a terminal aldehyde functional group (-CHO).
Valeraldehyde is a volatile, colorless to slightly yellow liquid with a strong, pungent, acrid odor.
At sufficiently low concentrations, Valeraldehyde's odor can be perceived as fruity, nutty, fermented, bready or berry-like.
One of Valeraldehyde's most important characteristics is its chemical versatility.
The aldehyde group readily undergoes oxidation, reduction, condensation and other organic reactions, making valeraldehyde useful for manufacturing downstream chemicals.
Industrially, important conversion routes include hydrogenation to pentanol and oxidation to valeric acid.
Pentanal (also called valeraldehyde) is the organic compound with molecular formula C4H9CHO.
Classified as an alkyl aldehyde, Valeraldehyde is a colorless volatile liquid.
Valeraldehyde's odor is described as fermented, bready, fruity, nutty, or berry-like.
Valeraldehyde (Pentanal) is oxidized to give valeric acid.
Valeraldehyde functions as a precursor in the synthesis of various organic compounds.
Valeraldehyde acts as a building block for the production of alcohols, acids, and esters, contributing to the creation of diverse chemical structures.
At the molecular level, valeraldehyde undergoes reactions such as oxidation and reduction to form different functional groups, enabling the modification of its chemical properties.
Its mechanism of action involves participating in organic synthesis reactions, where Valeraldehyde serves as a starting material for the creation of more complex molecules.
Valeraldehyde′s role in these processes allows for the generation of a wide range of chemical derivatives, contributing to the development of new compounds for experimental purposes.
Valeraldehyde is one of the key volatile flavor compounds identified in cooked rice, beef fish meat and uncured ham.
Valeraldehyde's smell is described as fermented, bready, fruity, nutty, berry.
Valeraldehyde is an alkyl aldehyde used in flavoring Compounds, resin chemistry, rubber accelerators.
Valeraldehyde is a saturated fatty aldehyde composed from five carbons in a straight chain.
Valeraldehyde has a role as a plant metabolite.
Valeraldehyde is an aldehyde that is liquid at room temperature.
Valeraldehyde is occasionally a minor ingredient in some cosmetic products like perfumes.
Valeraldehyde has been reported in Lucensosergia lucens, Zea mays, and other organisms with data available.
Valeraldehyde is a versatile five-carbon aliphatic aldehyde primarily valued as a reactive chemical intermediate.
Valeraldehyde's relatively simple structure combines a straight-chain C5 hydrocarbon skeleton with a highly reactive aldehyde group, allowing it to be converted into numerous useful derivatives.
Valeraldehyde's most important industrial applications are the production of 1-pentanol and valeric acid, while secondary applications include flavor and fragrance chemistry, resin chemistry and rubber-related applications.
Valeraldehyde is also relevant to analytical chemistry as a volatile reference material.
From a technical perspective, Valeraldehyde's principal benefits are its high chemical reactivity, versatility, relatively low molecular weight, easy conversion to multiple downstream products and useful aroma properties at low concentrations.
Valeraldehyde (also n -pentanal) is a colorless liquid with a fruity smell and belongs to the class of aldehydes.
Valeraldehyde, also known as Pentanal or pentanaldehyde, is an alkyl aldehyde used in resin chemistry, flavorings, and rubber accelerators.
Pentanal, also known as valeraldehyde, is a straight-chain aliphatic aldehyde with the molecular formula C5H10O.
Valeraldehyde is characterized by a five-carbon chain with a terminal aldehyde functional group (-CHO).
Valeraldehyde is a colorless liquid at room temperature, exhibiting a distinctive, pleasant odor reminiscent of freshly cut grass or hay.
Valeraldehyde has a relatively low boiling point and is soluble in organic solvents, while being only slightly soluble in water due to its hydrophobic carbon chain.
Valeraldehyde is the common name for 1-pentanal.
Valeraldehyde is a colorless liquid with a pungent odor.
Valeraldehyde is miscible with many organic solvents and slightly soluble in water.
Valeraldehyde is a volatile chemical (i.e. evaporates easily).
USES and APPLICATIONS of VALERALDEHYDE:
Valeraldehyde is mainly used as a chemical intermediate for the production of amyl alcohol and valeric acid.
Valeraldehyde may also be used as a rubber accelerant and as a fragrance additive.
Valeraldehyde is mainly used for hydrogenation to Isoamyl alcohol and oxidation to valeric acid.
Valeraldehyde can also be used as a raw material for fragrances, resin chemistry, and rubber accelerators.
Valeraldehyde is used as a gaseous standard in the study of the sorptive loss pattern for volatile compounds.
Valeraldehyde has been used to study its time-weighted average sampling using solid-phase microextraction (SPME) device.
Valeraldehyde is used in flavoring compounds and as a rubber accelerator.
Valeraldehyde is also used extensively as a natural and synthetic flavoring agent.
Valeraldehyde is used as a top note for flavor to give identity (fruity, nutty) on first impression and is a component of rose oil used to flavor foods, beverages and chewing tobacco.
Valeraldehyde is mainly used as a chemical intermediate.
As a starting material in industrial organic synthesis, Valeraldehyde is hydrogenated to 1-pentanol, oxidized to valeric acid, and aminated to 1-aminopentane
Valeraldehyde is used to make artificial flavorings and rubber.
Valeraldehyde is used in flavorings, resin chemistry, and rubber accelerators.
Valeraldehyde is used as a gaseous standard in the study of the sorptive loss pattern for volatile compounds.
Valeraldehyde is used as an intermediate in industrial settings in the production of valeric acid and amyl alcohol.
Valeraldehyde occurs naturally in some plants, essential oils and foods, but industrially produced valeraldehyde is primarily used as a chemical intermediate rather than as a final consumer product.
Valeraldehyde is also used in flavoring chemistry, resin chemistry and rubber-related applications.
Valeraldehyde is used in flavorings, resin chemistry, and rubber accelerators
Valeraldehyde is commonly used in the synthesis of various chemicals, including flavoring agents and fragrances, and serves as an intermediate in organic synthesis.
Valeraldehyde is used to study its time-weighted average sampling using solid-phase microextraction (SPME) device.
Additionally, Valeraldehyde can participate in various chemical reactions, such as oxidation and condensation, making it a versatile compound in both laboratory and industrial applications.
Its reactivity and functional group make Valeraldehyde an important compound in organic chemistry and related fields.
-Chemical Intermediate uses of Valeraldehyde:
The primary industrial role of valeraldehyde is as a chemical intermediate.
Rather than being used mainly as a finished product, Valeraldehyde is converted into other chemicals that have broader industrial applications.
Two particularly important downstream products are 1-pentanol and valeric acid.
Valeraldehyde can also be converted into other organic intermediates through oxidation, reduction, amination and condensation reactions.
-Valeraldehyde is used production of 1-Pentanol:
One of Valeraldehyde's major applications is the production of 1-pentanol (n-amyl alcohol) through catalytic hydrogenation.
This conversion is commercially important because 1-pentanol is used in solvents, chemical synthesis, coatings, plasticizers and other industrial applications.
Historical OECD industry information indicates that production of amyl alcohol accounted for a major proportion of valeraldehyde consumption.
-Valeraldehyde is used production of Valeric Acid
Valeraldehyde can be oxidized to valeric acid (pentanoic acid).
Valeric acid is used as an intermediate in chemical synthesis and in the preparation of various esters and other derivatives.
Therefore, valeraldehyde provides an efficient aldehyde-stage intermediate for accessing valeric-acid chemistry.
-Flavoring Industry uses of Valeraldehyde:
Valeraldehyde has an important role in flavor chemistry.
At appropriate low concentrations, Valeraldehyde can provide fruity, nutty and fermented/bready notes.
Valeraldehyde has historically been used as a natural and synthetic flavoring substance and is associated with flavor profiles described as fruity and nut-like.
Valeraldehyde has also been detected naturally in various foods and plant materials.
The flavor contribution is highly concentration-dependent.
At high concentrations, Valeraldehyde's strong aldehydic/pungent odor becomes undesirable, whereas at very low concentrations it can contribute characteristic aroma notes.
-Fragrance and Perfumery uses of Valeraldehyde:
Valeraldehyde can be used in fragrance and perfumery chemistry because of its characteristic aldehydic odor profile.
Valeraldehyde's direct odor contribution and its ability to serve as a synthetic intermediate make it relevant to fragrance chemistry.
Chemical suppliers identify Valeraldehyde as a perfuming ingredient.
-Resin Chemistry uses of Valeraldehyde:
Valeraldehyde has been reported in resin chemistry, including use in the preparation of acetal-resin-related materials and as an organic building block for resin systems.
Its aldehyde functionality allows Valeraldehyde to participate in condensation chemistry that can generate more complex molecular structures.
-Rubber Industry uses of Valeraldehyde:
Valeraldehyde has been reported as a rubber accelerator-related chemical and as a material associated with vulcanization chemistry.
Its use in this area is a comparatively minor application compared with its role as a chemical intermediate, but Valeraldehyde is a recognized industrial application.
-Research and Analytical Applications of Valeraldehyde:
Valeraldehyde is also used in laboratory and analytical research.
Commercial suppliers report Valeraldehyde's use as a gaseous standard for studying sorptive losses of volatile compounds and in investigations involving solid-phase microextraction (SPME).
-Intermediate for Other Organic Chemicals uses of Valeraldehyde:
Because aldehydes are highly versatile functional groups, valeraldehyde can serve as a precursor to various organic compounds through: oxidation, reduction, amination, condensation, acetal formation, imine formation, carbon-carbon bond-forming reactions.
This makes Valeraldehyde useful as a five-carbon synthetic building block.
-Use of Valeraldehyde:
Valeraldehyde undergoes the reactions characteristic of any alkyl aldehyde, i.e., oxidations, condensations, and reductions.
2-Octanone, produced for use in the fragrance industry, is obtained by the condensation of acetone and pentanal, followed by hydrogenation of the alkene.
2-Propyl-2-heptenal is obtained from pentanal by aldol condensation, which is hydrogenated to the saturated branched 2-propylheptanol.
This alcohol serves as a starting material for the PVC plasticizer di-2-propylheptyl phthalate (DPHP).
BENEFITS AND ADVANTAGES of VALERALDEHYDE:
The principal technical advantage of valeraldehyde is its combination of small molecular size, high reactivity and five-carbon aliphatic structure.
Valeraldehyde's main advantages include:
Valeraldehyde is a versatile chemical building block.
Valeraldehyde can be converted into both alcohols and carboxylic acids.
Valeraldehyde provides a convenient route to 1-pentanol.
Valeraldehyde provides a convenient route to valeric acid.
Its aldehyde group allows extensive downstream functionalization.
Valeraldehyde is useful in flavor and fragrance chemistry.
Valeraldehyde can contribute fruity and nutty aroma characteristics at low concentrations.
Valeraldehyde has applications in resin chemistry.
Valeraldehyde has applications in rubber-related chemistry.
Valeraldehyde is useful as an analytical/research standard for volatile compounds.
Valeraldehyde's relatively low boiling point facilitates recovery and purification by distillation.
Its simple molecular structure makes Valeraldehyde a useful model compound for studying aldehyde chemistry.
Historically, Valeraldehyde's greatest commercial advantage has been its role as an intermediate rather than its direct use.
OECD industry information indicates that the majority of valeraldehyde consumption was directed toward the manufacture of amyl alcohol and valeric acid.
PREPARATION of VALERALDEHYDE:
Valeraldehyde can be prepared by oxidation of the corresponding alcohol, 1-pentanol or by reduction of n-valeric acid (Opdyke, 1979; Lewis, 1993).
Valeraldehyde is one of a number of aliphatic aldehydes industrially prepared by the oxo process, which involves the reaction of olefins with carbon monoxide and hydrogen in the presence of a catalyst.
The use of a cobalt carbonyl complex as catalyst required high pressure in an older process, which has been largely replaced by a low-pressure process based on rhodium complex catalysts, such as a tris (alkyldiarylphosphine) rhodium carbonyl hydride.
CHARACTERISTICS of VALERALDEHYDE:
Valeraldehyde is characterized by a combination of volatility, flammability, aldehyde reactivity and moderate polarity.
Its five-carbon chain gives Valeraldehyde a hydrophobic component, while the aldehyde group provides polarity and chemical reactivity.
As a result, Valeraldehyde is only moderately soluble in water but is readily soluble in many organic solvents.
Valeraldehyde is also characterized by a strong odor.
Valeraldehyde's odor profile changes substantially with concentration: concentrated material has a sharp, pungent and irritating aldehydic odor, while dilute material can exhibit fruity, nutty, fermented and berry-like characteristics.
Another important characteristic is Valeraldehyde's high volatility.
With a boiling point around 102–103 °C and significant vapor pressure at room temperature, valeraldehyde readily enters the vapor phase.
This characteristic is useful in some flavor/fragrance applications and analytical work.
REACTIVITY PROFILE of VALERALDEHYDE:
Valeraldehyde is an aldehyde.
Aldehydes are frequently involved in self-condensation or polymerization reactions.
These reactions are exothermic; they are often catalyzed by acid.
Aldehydes are readily oxidized to give carboxylic acids.
Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids.
These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction).
The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.
Valeraldehyde is incompatible with oxidizing agents, strong bases and strong reducing agents.
NATURAL OCCURRENCE of VALERALDEHYDE:
Although valeraldehyde is manufactured industrially, it also occurs naturally.
Valeraldehyde has been identified as a plant volatile and has been detected in various essential oils and plant distillates.
Historical chemical assessments have also reported Valeraldehyde's presence in foods including apples, baked potatoes, cassava, cheese, raw beef, roasted filberts, clams, scrambled eggs and fried chicken.
The concentration in natural materials can vary substantially.
For example, valeraldehyde has been reported in unripe apples, with concentrations decreasing as the fruit ripens.
SOLUBILITY of VALERALDEHYDE:
Valeraldehyde is soluble in water at 20°C, 13.5g/L.
Valeraldehyde is soluble in alcohol.
NOTES of VALERALDEHYDE:
Valeraldehyde is air sensitive.
Store Valeraldehyde away from oxidizing agents and air.
Keep Valeraldehyde in the container tightly closed and place it in a cool, dry, and well-ventilated condition.
PRODUCTION of VALERALDEHYDE:
Valeraldehyde is obtained by hydroformylation of butene.
Also C4 mixtures can be used as starting material like the so-called raffinate II, which is produced by steam cracking and contains (Z)- and (E)-2-butene, 1-butene, butane and isobutane.
The conversion to Valeraldehyde is accomplished with synthesis gas in the presence of a catalyst consisting of a rhodium-bisphosphite complex and a sterically hindered secondary amine with a selectivity toward pentanal of at least 90%.
CHEMICAL REACTIVITY of VALERALDEHYDE:
The most important chemical feature of valeraldehyde is its aldehyde functional group.
Oxidation
Valeraldehyde can be oxidized to valeric acid, also known as pentanoic acid:
Valeraldehyde → Valeric acid
This is an important industrial transformation because valeric acid is itself a useful chemical intermediate.
Hydrogenation
Hydrogenation converts valeraldehyde into 1-pentanol (n-amyl alcohol):
Valeraldehyde → 1-Pentanol
This is one of the major industrial uses of valeraldehyde.
Historical industrial-use assessments indicate that a large proportion of produced valeraldehyde has been directed toward amyl alcohol production.
Reaction with amines
The aldehyde group can react with primary amines to form imines, providing a route toward nitrogen-containing intermediates.
Reaction with alcohols
Valeraldehyde can react with alcohols under acidic conditions to form acetals.
This is a typical aldehyde reaction and demonstrates the versatility of the compound as a synthetic building block.
Condensation reactions
The alpha-hydrogen atoms adjacent to the aldehyde group allow valeraldehyde to participate in condensation chemistry, including aldol-type reactions, under suitable catalytic or basic conditions.
CHEMICAL PROPERTIES of VALERALDEHYDE:
Valeraldehyde is a colorless liquid with a strong acrid, pungent odor.
At low levels, the taste of Valeraldehyde is warm, slightly fruity and nut-like.
The odor threshold of Valeraldehyde is 0.028 ppm.
Valeraldehyde is slightly soluble in water; soluble in alcohol and ether.
MANUFACTURING AND PRODUCTION of VALERALDEHYDE:
Industrial valeraldehyde can be produced by several chemical routes.
One important industrial method is hydroformylation (oxo process).
In this process, an olefin reacts with carbon monoxide and hydrogen in the presence of a catalyst, producing aldehydes.
Oxidation of 1-pentanol as a preparation route and reduction of valeric acid as another possible synthetic route.
Industrial production may therefore be integrated into a broader chemical manufacturing network in which valeraldehyde is produced as an intermediate and subsequently converted to other five-carbon chemicals.
OCCURRENCE of VALERALDEHYDE:
Valeraldehyde is naturally occurring (e.g., plant volatile).
Valeraldehyde has been reported to be found among the constituents of several essential oils: Brazilian sassafras, Bulgarian rose, Bulgarian clary sage and others.
Valeraldehyde is also found in the distillates from leaves of various Eucalyptus species: E. cinereea, E. globulus, E. dives, E. maideni and E. hemilampra.
Also reported to be found in fresh apple, banana, sweet cherry, black currant berries, fresh blackberry, Bantu beer, plum brandy, cardamom, coriander leaf, unprocessed rice, Bourbon vanilla, cooked shrimp, scallop, hog plum and clary sage.
PHYSICAL and CHEMICAL PROPERTIES of VALERALDEHYDE:
Molecular Formula: C5H10O
Molar Mass: 86.134 g·mol−1
Appearance: Clear liquid
Odor: Fermented, bready, fruity, nutty, berry-like
Density: 0.8095 at 20 °C
Melting Point: −60 °C
Boiling Point: 102 to 103 °C
Solubility in Water: 14 g/L at 20 °C
Vapor Pressure: 0.35 kPa at 20 °C
Viscosity: 0.6 mPa·s at 20 °C
IUPAC Name: Pentanal
CAS Number: 110-62-3
EC Number / EINECS: 203-784-4
Molecular Structure: CH₃CH₂CH₂CH₂CHO
Chemical Class: Aliphatic aldehyde
Functional Group: Aldehyde (-CHO)
PubChem CID: 8063
ChEBI ID: CHEBI:84069
UN Number: UN 2058
FEMA Number: 3098
Linear Formula: CH₃(CH₂)₃CHO
SMILES: CCCCC=O
InChIKey: HGBOYTHUEUWSSQ-UHFFFAOYSA-N
CAS: 110-62-3
IUPAC Name: pentanal
Molecular Formula: C5H10O
InChI Key: HGBOYTHUEUWSSQ-UHFFFAOYSA-N
SMILES: CCCCC=O
Molecular Weight: 86.13
Infrared Spectrum: Conforms
Refractive Index: 1.3925 to 1.3975
Free Acid: =<1.5 %
Appearance (Color): Clear colorless to light yellow
Appearance (Form): Liquid
Density: 0.8±0.1 g/cm3
Boiling Point: 103.7±3.0 °C at 760 mmHg
Melting Point: -92 °C
Molecular Formula: C5H10O
Molecular Weight: 86.132
Flash Point: 12.2±0.0 °C
Exact Mass: 86.073166
PSA: 17.07000
LogP: 1.44
Vapour Pressure: 31.8±0.2 mmHg
Index of Refraction: 1.385
InChIKey: HGBOYTHUEUWSSQ-UHFFFAOYSA-N
SMILES: CCCCC=O
Stability: Stable. Highly flammable. Incompatible with strong oxidizing agents, acids, strong alkalies, strong reducing agents.
Water Solubility: 14 g/L
Molecular Formula / Molecular Weight: C5H10O = 86.13
Physical State: Liquid
Storage Temperature: Refrigerated (0-10°C)
Store Under Inert Gas: Store under inert gas
Condition to Avoid: Air Sensitive, Heat Sensitive
CAS RN: 110-62-3
Reaxys Registry Number: 1616304
PubChem Substance ID: 87577801
SDBS (AIST Spectral DB): 10637
Merck Index (14): 9902
MDL Number: MFCD00007026
CBNumber: CB9210837
Molecular Formula: C5H10O
Molecular Weight: 86.13
MDL Number: MFCD00007026
MOL File: 110-62-3.mol
Melting Point: -92 °C
Boiling Point: 103 °C
Density: 0.81 g/mL at 25 °C
Vapor Pressure: 36 hPa
Refractive Index: n20/D 1.394
FEMA: 3098 | VALERALDEHYDE
FLAVIS Number: 05.005 | Pentanal
Flash Point: 54 °F
Storage Temperature: Store at +2°C to +8°C.
Solubility: soluble in ethyl alcohol, ethyl ether, and other common organic solvents.
Form: liquid
Color: Colorless to Light yellow
Odor: fermented bready fruity nutty berry
Odor Type: fermented
Odor Threshold: 0.00041ppm
Biological Source: synthetic
Explosive Limit: 1.7-6.8%(V)
Water Solubility: 14 g/L
Thermal Conductivity: 0.139 W/(m·K)
Sensitive: Air Sensitive
Merck: 14,9902
JECFA Number: 89
BRN: 1616304
Henry's Law Constant: 6.6×10-2 mol/(m3Pa)
Dielectric Constant: 13.9（Ambient）
Exposure Limits: TLV-TWA 175 mg/m3 (50 ppm) (ACGIH and OSHA).
Stability: Stable. Highly flammable. Incompatible with strong oxidizing agents, acids, strong alkalies, strong reducing agents.
Cosmetics Ingredients Functions: PERFUMING
InChI: 1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
InChIKey: HGBOYTHUEUWSSQ-UHFFFAOYSA-N
SMILES: [H]C(=O)CCCC
LogP: 1.5 at 25℃ and pH7
CAS DataBase Reference: 110-62-3(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): VALERALDEHYDE
EWG's Food Scores: 1
FDA UNII: B975S3014W
NIST Chemistry Reference: Pentanal(110-62-3)
EPA Substance Registry System: Pentanal (110-62-3)
UNSPSC Code: 85151701
NACRES: NA.24
ECHA EINECS - REACH Pre-Reg: 203-784-4
FDA UNII: B975S3014W
Nikkaji Web: J5.096B
Beilstein Number: 1616304
MDL: MFCD00007026
CoE Number: 93
XlogP3-AA: 1.10 (est)
Molecular Weight: 86.13390000
Formula: C5 H10 O
Appearance: colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: Yes
Specific Gravity: 0.80500 to 0.80900
Pounds per Gallon - (est).: 6.698 to 6.732
Refractive Index: 1.39000 to 1.39500
Melting Point: -92.00 °C.
Boiling Point: 102.00 to 103.00 °C.
Acid Value: 5.00 max. KOH/g
Vapor Pressure: 31.792000 mmHg
Vapor Density: 3.0
Flash Point: 55.00 °F.
logP (o/w): 1.423 (est)
Soluble in: alcohol
Soluble in: water, 1.17E+04 mg/L
Insoluble in: water
Similar Items: note
2-oxovaleraldehyde
isovaleraldehyde
Chemical Formula: C5H10O
Molar Mass: 86.134 g·mol−1
Appearance: Clear liquid
Odor: Fermented, bready, fruity, nutty, berry-like
Density: 0.8095
Melting Point: −60 °C
Boiling Point: 102 to 103 °C
Solubility in Water: 14 g/L
Vapor Pressure: 0.35 kPa
Viscosity: 0.6 mPa·s
IUPAC Name: Pentanal
CAS Number: 110-62-3
EC Number / EINECS: 203-784-4
Molecular Formula: C₅H₁₀O
Molecular Weight: 86.13 g/mol
Molecular Structure: CH₃CH₂CH₂CH₂CHO
Chemical Class: Aliphatic aldehyde
Functional Group: Aldehyde (-CHO)
PubChem CID: 8063
ChEBI ID: CHEBI:84069
UN Number: UN 2058
FEMA Number: 3098
Linear Formula: CH₃(CH₂)₃CHO
SMILES: CCCCC=O
InChIKey: HGBOYTHUEUWSSQ-UHFFFAOYSA-N
Physical state: Liquid
Appearance: Colorless to light yellow liquid
Odor: Strong, acrid, pungent; at low concentrations described as fruity, nutty, fermented, bready or berry-like
Molecular formula: C₅H₁₀O
Molecular weight: 86.13 g/mol
Melting point: approximately −92 °C
Boiling point: approximately 102–103 °C
Density: approximately 0.81 g/mL at 25 °C
Relative density: less dense than water
Water solubility: approximately 13.5–14 g/L at 20 °C
Vapor pressure: approximately 36 hPa at 20 °C
Refractive index: approximately 1.394–1.395 at 20 °C
Flash point: approximately 7–8 °C, depending on measurement method
Autoignition temperature: approximately 220 °C / 428 °F
Viscosity: approximately 0.6 mPa·s at 20 °C
LogP: approximately 1.5 at 25 °C and pH 7
Dielectric constant: approximately 13.9
Odor threshold: reported values vary considerably according to the test method and medium
Explosive limits: approximately 1.7–6.8 vol% in air
Solubility in organic solvents: soluble in alcohol, ether and many common organic solvents
Storage condition: commonly stored cool, tightly closed and protected from ignition sources; some suppliers recommend approximately 2–8 °C
Sensitivity: air-sensitive material is reported by suppliers
Physical stability: stable under appropriate storage conditions, but highly flammable and reactive with certain incompatible substances.
Aliphatic aldehyde: It contains a terminal -CHO functional group.
Saturated compound: It contains no carbon-carbon double or triple bonds.
Straight-chain structure: The five carbon atoms form an unbranched chain.
Reactive carbonyl group: The aldehyde carbon is electrophilic and readily reacts with nucleophiles.
Oxidizable: Valeraldehyde can be oxidized to valeric acid (pentanoic acid).
Reducible: Hydrogenation/reduction converts the aldehyde group into a primary alcohol, producing 1-pentanol (n-amyl alcohol).
Condensation reactions: Like other aldehydes, it can participate in condensation reactions.
Acetal formation: It can react with alcohols under suitable acidic conditions to form acetals.
Imine formation: It can react with primary amines to form imines.
Aldol chemistry: Its alpha-carbon allows it to participate in aldehyde condensation chemistry.
Polymer-related reactivity: Its aldehyde group allows participation in resin and related chemical synthesis.
Volatility: Its low molecular weight and relatively low boiling point make it highly volatile.
Flammability: Its low flash point makes ignition a significant handling concern.
Moderate water solubility: The carbonyl oxygen provides polarity, but the four-carbon hydrocarbon portion limits complete miscibility with water.
Air sensitivity: Commercial product information identifies it as air-sensitive.
Molecular Weight: 86.13 g/mol
XLogP3-AA: 1.1
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 3
Exact Mass: 86.073164938 Da
Monoisotopic Mass: 86.073164938 Da
Topological Polar Surface Area: 17.1 Ų
Heavy Atom Count: 6
Formal Charge: 0
Complexity: 32.9
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Linear Formula: CH3(CH2)3CHO
CAS Number: 110-62-3
Molecular Weight: 86.13
FEMA Number: 3098
Council of Europe no.: 93
UNSPSC Code: 12164502
PubChem Substance ID: 24901464
Flavis Number: 5.005
EC Number: 203-784-4
NACRES: NA.21
MDL Number: MFCD00007026
Beilstein/REAXYS Number: 1616304
Organoleptic: berry; bread; nutty; fruity
Grade: FG, Fragrance grade, Halal, Kosher
Biological Source: synthetic
Agency: follows IFRA guidelines, meets purity specifications of JECFA
Food Allergen: no known allergens
Physical State: liquid
Color: colorless
Odor: stinging
Melting Point/Freezing Point: -92 °C - lit.
Initial Boiling Point and Boiling Range: 102 - 103 °C - lit.
Flammability: No data available
Upper Explosion Limit: 6,8 %(V)
Lower Explosion Limit: 1,7 %(V)
Flash Point: 7 °C - DIN 51755 Part 1
Autoignition Temperature: No data available
Decomposition Temperature: No data available
pH: neutral
Viscosity, Kinematic: No data available
Viscosity, Dynamic: 0,5 mPa.s at 20 °C
Water Solubility: 11,7 g/l at 20 °C
Partition Coefficient: n-octanol/water
log Pow: 1,5 at 25 °C - Bioaccumulation is not expected.
Vapor Pressure: 36 hPa at 20 °C
Density: 0,81 g/cm3 at 25 °C - lit.
Relative Density: No data available
Relative Vapor Density: No data available
Particle Characteristics: No data available
Explosive Properties: No data available
Oxidizing Properties: none
Other Safety Information: No data available
FIRST AID MEASURES of VALERALDEHYDE:
-Description of first-aid measures
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation:
Fresh air.
*In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with
water/ shower.
*In case of eye contact:
After eye contact:
Rinse out with plenty of water.
Call in ophthalmologist.
Remove contact lenses.
*If swallowed:
After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.
-Indication of any immediate medical attention and special treatment needed.
No data available
ACCIDENTAL RELEASE MEASURES of VALERALDEHYDE:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up dry.
Dispose of properly.
Clean up affected area.
FIRE FIGHTING MEASURES of VALERALDEHYDE:
-Extinguishing media:
*Suitable extinguishing media:
Carbon dioxide (CO2)
Foam
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.
EXPOSURE CONTROLS/PERSONAL PROTECTION of VALERALDEHYDE:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
Safety glasses
*Body Protection:
protective clothing
*Respiratory protection:
Recommended Filter type: Filter A
-Control of environmental exposure:
Do not let product enter drains.
HANDLING and STORAGE of VALERALDEHYDE:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
Dry.
STABILITY and REACTIVITY of VALERALDEHYDE:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available
For more information, you can contact Ataman Kimya.
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