PRODUCTS

SALICYLALDEHYDE

Salicylaldehyde offers a compact bifunctional aromatic structure that supports efficient transformation into a wide variety of high-value organic derivatives.
Salicylaldehyde is especially useful in routes involving imine formation, heterocycle construction, ligand synthesis, and the preparation of functional aromatic compounds.
Salicylaldehyde's broad reactivity makes it well suited for fine chemical manufacturing, pharmaceutical research, coordination chemistry, and specialty material development.

CAS Number: 90-02-8
EC Number: 201-961-0
Molecular Formula: C7H6O2
Molecular Weight: 122.12

Synonyms: SALICYLALDEHYDE, 2-Hydroxybenzaldehyde, 90-02-8, o-Hydroxybenzaldehyde, o-Formylphenol, 2-Formylphenol, Salicylal, Salicylic aldehyde, Benzaldehyde, 2-hydroxy-, Salicyladehyde, FEMA No. 3004, DTXSID1021792, 17K64GZH20, NSC-49178, DTXCID001792, CHEBI:16008, NSC-83559, NSC-83560, NSC-83561, NSC-83562, NSC-97202, NSC-112278, RefChem:6210, 201-961-0, Benzaldehyde, o-hydroxy-, Salicylaldehyd, Salizylaldehyd, 2-HYDROXY-BENZALDEHYDE, MFCD00003317, NSC 49178, 2-hydroxy benzaldehyde, CHEMBL108925, Benzaldehyde, hydroxy-, salicyl aldehyde, CAS-90-02-8, 27761-48-4, 2-Hydroxy(formyl-~13~C)benzaldehyde, CCRIS 7451, HSDB 721, EINECS 201-961-0, 2-(~2~H)Hydroxy(formyl-~2~H_5_)benzaldehyde, BRN 0471388, UNII-17K64GZH20, salicylylaldehyde, AI3-02174, 28777-87-9, hydroxylbenzaldehyde, hydroxy benzaldehyde, Dembrexine Hydrochloride Monohydrate Imp. D (EP); Dembrexine Imp. D (EP); 2-Hydroxybenzaldehyde; Salicylaldehyde; Dembrexine Hydrochloride Monohydrate Impurity D; Dembrexine Impurity D, hydroxyl benzaldehyde, 2-hyroxy-benzaldehyde, o-hydroxy benzaldehyde, Salicylaldehyde, 8CI, 2- hydroxybenzaldehyde, 2'-Hydroxybenzaldehyde, WLN: VHR BQ, bmse000677, EC 201-961-0, SALICYLALDEHYDE [MI], SCHEMBL15395, SALICYLALDEHYDE [FCC], 4-08-00-00176 (Beilstein Handbook Reference), SALICYLALDEHYDE [FHFI], SALICYLALDEHYDE [HSDB], SCHEMBL671168, SCHEMBL709610, Salicylaldehyde, >=98%, FG, SCHEMBL2998047, SCHEMBL4456247, SCHEMBL5200892, SCHEMBL11035984, SCHEMBL21828847, SCHEMBL29386538, FEMA 3004, MSK1696, Salicylaldehyde, p.a., 99.0%, CS-D1188, GNA45802, NSC49178, Salicylaldehyde, analytical standard, Tox21_201737, Tox21_302929, BDBM50139367, MSK1696-100A, NSC187662, Salicylaldehyde, reagent grade, 98%, SBB040225, AKOS000119187, 2-hydroxybenzaldehyde (salicylaldehyde), Dembrexine Hydrochloride EP Impurity D, EBC-443046, FS34067, NSC-187662, NCGC00249108-01, NCGC00256460-01, NCGC00259286-01, AS-13997, NS00013184, Salicylaldehyde, redist., >=99.0% (GC), ST50213374, EN300-18033, Salicylaldehyde(Discontinued,See C4X-25751), C06202, F169200, Q414492, Salicylaldehyde Solution in Acetonitrile, 100ug/mL, Z57127523, F2190-0607, InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9, 29734-89-2, 2-Hydroxybenzaldehyd, [German], 2-Hydroxybenzaldehyde, [IUPAC name – generated by ACD/Name], 201-961-0, [EINECS], 471388, [Beilstein], Benzaldehyde, 2-hydroxy-, [Index name – generated by ACD/Name], o-Formylphenol, Salicyl aldehyde, Salicylaldehyd, [German], [IUPAC name – generated by ACD/Name], Salicylaldehyde, [Wiki] , [IUPAC name – generated by ACD/Name], Salicylaldéhyde, [French], [IUPAC name – generated by ACD/Name], salicylic aldehyde, VHR BQ, [WLN], Unverified, 133054-21-4, [RN], 1649426-95-8, [RN], 2-Formylphenol, 2-Hydroxybenzaldehyde (Salicylaldehyde), 201-961-0MFCD00003317, 27761-48-4, [RN], 28777-87-9, [RN], 2′-Hydroxybenzaldehyde, 32912.0, 331458-02-7, [RN], 4-08-00-00176, [Beilstein], 99%, Benzaldehyde, o-hydroxy-, o-Hydroxybenzaldehyde, PHENOXY, 2-FORMYL-, POLY(OXY-1,2-PHENYLENECARBONYL), SAH, Salicaldehyde, SALICYLADEHYDE, Salicylaldehyde-[13C6], 水杨醛

Salicylaldehyde is a hydroxybenzaldehyde carrying a hydroxy substituent at position 2.
Salicylaldehyde has a role as a nematicide and a plant metabolite.

Salicylaldehyde is an organic compound with the formula C6H4OH(CHO).
Along with 3-hydroxybenzaldehyde and 4-hydroxybenzaldehyde, Salicylaldehyde is one of the three isomers of hydroxybenzaldehyde.

Salicylaldehyde is a colorless oily liquid, with a bitter almond odor at higher concentration.
Salicylaldehyde is a precursor to coumarin and a variety of chelating agents.

Salicylaldehyde is used as a precursor to prepare catechol, benzofuran, salicylaldehydimine and 3-carbethoxycoumarin.
Salicylaldehyde is used for colorimetric assay of isoleucine as well as utilized for the determination of primary amine by fluorescence method.

Salicylaldehyde is a key starting material to a various chelating agents.
Salicylaldehyde is used as flavor and fragrance components.
Salicylaldehyde's derivative salicylaldehyde thiosemicarbazone is used for the simultaneous determination of molybdenum and iron by spectrophotometric method.

Salicylaldehyde is the organic compound.
Along with 3-hydroxybenzaldehyde and 4-hydroxybenzaldehyde, Salicylaldehyde is one of the three isomers of hydroxybenzaldehyde.

Salicylaldehyde is an organic compound with the formula C6H4CHO-2-OH.
Along with 3-hydroxybenzaldehyde and 4-hydroxybenzaldehyde, Salicylaldehyde is one of the three isomers of hydroxybenzaldehyde.

Salicylaldehyde is a colorless or pale yellow liquid with a bitter almond odor and a burning taste.
Salicylaldehyde is soluble in alcohol, benzene, and ether, and very slightly soluble in water.

Salicylaldehyde is found in shrubs of the genus Spiraea and is usually produced from phenol by the action of chloroform in the presence of an alkali base.
Salicylaldehyde is used in the production of coumarin, saligenin, and salicylaldoxime (an important analytical reagent), and also in analytical chemistry—for example, to detect hydrazine.
Besides, salicylaldehyde is a key precursor to various chelating agents and a flavouring ingredient.

Salicylaldehyde is a multi-functional arene which can be used as a reagent for synthesis.

Salicylaldehyde is a versatile aromatic compound widely utilized in various industrial and research applications.
This compound features a distinctive hydroxyl group and an aldehyde functional group, making it an essential building block in organic synthesis.

Salicylaldehyde is particularly valued in the production of fragrances, where its pleasant, sweet aroma enhances perfumes and cosmetic products.
Additionally, Salicylaldehyde serves as a precursor for the synthesis of pharmaceuticals, agrochemicals, and dyes, showcasing its importance in the chemical industry.

Researchers also leverage salicylaldehyde for its role in developing coordination complexes and as a reagent in organic reactions, such as the synthesis of salicylidene derivatives.
Salicylaldehyde's unique properties, including its ability to form chelates with metal ions, open avenues for applications in catalysis and materials science.
With its broad range of uses and benefits, salicylaldehyde stands out as a crucial compound for professionals in chemistry and related fields.

At room temperature, salicylaldehyde is a yellow to light brown liquid with a noticeable aromatic odor.
Salicylaldehyde is also known as 2-hydroxybenzaldehyde, o-hydroxybenzaldehyde, and 2-formylphenol, names under which it is marketed.

The compound consists of carbon, hydrogen, and oxygen atoms, and contains both aldehyde and hydroxyl functional groups attached to an aromatic benzene ring.
This molecular structure includes polar covalent bonds, contributing to Salicylaldehyde's solubility in common organic solvents and moderate solubility in water.

Salicylaldehyde was first synthesized in the late 19th century through the chemical modification of phenolic compounds.
Salicylaldehyde does not occur widely in nature but can be found in trace amounts in certain plant-derived substances.

Industrially, Salicylaldehyde is typically produced by the Vilsmeier-Haack reaction or through the oxidation of methyl salicylate.
Salicylaldehyde serves as an important intermediate in the synthesis of heterocyclic compounds, pharmaceuticals, and chelating agents.
Salicylaldehyde is used in the production of dyes, agrochemicals, and fluorescent materials, and has applications in coordination chemistry due to its ability to form metal complexes.

Salicylaldehyde is the organic compound with the formula C6H4CHO-2-OH.
Along with 3-hydroxybenzaldehyde and 4-hydroxybenzaldehyde, Salicylaldehyde is one of the three isomers of hydroxybenzaldehyde.

This colorless oily liquid has a bitter almond odor at higher concentration.
Salicylaldehyde is a key precursor to a variety chelating agents, some of which are commercially important.

Salicylaldehyde is an aromatic aldehyde containing both a hydroxyl group and an aldehyde group positioned ortho to each other on a benzene ring.
Salicylaldehyde is widely used as an intermediate in pharmaceutical, fragrance, dye, agrochemical, and specialty chemical synthesis.

Salicylaldehyde's dual functional groups make it particularly useful in condensation reactions, Schiff base formation, ligand preparation, and the synthesis of heterocyclic and coordination compounds.

Uses of Salicylaldehyde:
Salicylaldehyde is used in perfumes, flavoring agents, auxiliary fumigants, reagents, and gasoline additives.
Salicylaldehyde is used to make coumarin and chelates.

Salicylaldehyde, is used as flavor and fragrance components.
Salicylaldehyde is also a common highly-functionalized arene, that can be used as a precursor in the synthesis of other chemicals.

Salicylaldehyde may be used in the preparation of pyrocatechol via Dakin reaction.
Salicylaldehyde may be used as starting reagent in the synthesis of novel unsymmetrical chiral Salen Schiff base ligands.
Salicylaldehyde may be used in the preparation of salicylaldehyde phenylhydrazine, a useful indicator for the titration of organometallic reagents.

Salicylaldehyde is widely used as a versatile intermediate in pharmaceutical, agrochemical, fragrance, dye, and specialty chemical synthesis.
Salicylaldehyde's molecule contains both an aldehyde group and a phenolic hydroxyl group in adjacent positions, allowing it to participate efficiently in condensation, substitution, oxidation, reduction, and cyclization reactions.
This combination of functional groups makes salicylaldehyde particularly valuable for preparing structurally complex aromatic and heterocyclic compounds.

In pharmaceutical and medicinal chemistry, salicylaldehyde is used as a starting material for the synthesis of biologically active molecules, pharmaceutical intermediates, and research compounds.
Salicylaldehyde is especially important in the preparation of Schiff bases through condensation with primary amines, producing imine derivatives that are widely studied in coordination chemistry and medicinal research.
These derivatives can also serve as precursors for more complex nitrogen-containing heterocycles.

Salicylaldehyde is extensively used in coordination chemistry for producing ligands capable of binding metal ions.
Schiff bases derived from salicylaldehyde are commonly employed in the preparation of metal complexes used in catalysis, analytical chemistry, materials research, and molecular recognition systems.
Salicylaldehyde's ortho-hydroxyl group can participate in intramolecular hydrogen bonding and metal coordination, making the resulting ligands particularly useful for controlled molecular design.

In fragrance and flavor chemistry, salicylaldehyde is valued for its characteristic aromatic odor and can be used as an intermediate in the preparation of fragrance ingredients and specialty aroma compounds.
Salicylaldehyde also serves as a precursor in the manufacture of substituted salicylates and other aromatic derivatives used in formulated products.

Salicylaldehyde is used in dye and pigment chemistry as a building block for the preparation of color-forming compounds, fluorescent molecules, and chromophoric systems.
Salicylaldehyde's reactive aldehyde group allows coupling with a broad range of nucleophilic compounds, supporting the development of specialized dyes and analytical indicators.

In agrochemical synthesis, salicylaldehyde and its substituted derivatives can be used as intermediates in the preparation of crop-protection compounds and functional aromatic molecules.
Salicylaldehyde is also employed in laboratory and industrial organic synthesis for producing coumarins, benzoxazoles, benzothiazoles, oximes, hydrazones, and other heterocyclic structures.

Salicylaldehyde additionally finds application in analytical chemistry, sensor development, molecular probes, and research involving metal-ion detection.
Salicylaldehyde's ability to form stable derivatives with amines, hydrazines, and metal ions makes it useful in qualitative analysis, spectroscopic studies, and the design of functional molecular systems.

Industry Uses:
Corrosion inhibitor

Procurement and Chemical Properties of Salicylaldehyde:
Salicylaldehyde is a foundational ortho-substituted aromatic aldehyde and a critical precursor in industrial organic synthesis.
Unlike many substituted benzaldehydes, Salicylaldehyde is a room-temperature liquid (melting point -7 °C) due to strong intramolecular hydrogen bonding between the ortho-hydroxyl and aldehyde groups.
This unique structural feature not only dictates Salicylaldehyde's physical processability but also makes it an indispensable building block for synthesizing coumarin derivatives, tetradentate Salen-type ligands, and various metal-chelating agents used in advanced catalysis and materials science.

Chemical Properties:
Salicylaldehyde is a colourless to yellow oily liquid with a pungent, irritating, bitter, almond-like odor similar to benzaldehyde, acetophenone and nitrobenzene, but with phenolic notes.
Salicylaldehyde has a nut-like, coumarin flavor at low levels.

Salicylaldehyde is slightly soluble in water, soluble in ethanol and ether.
Salicylaldehyde turns purple in case of ferric chloride.

Occurrence of Salicylaldehyde:
Occurs frequently in nature; in the flowers of Spirea ulmaria and other Spireae, in the roots of Crepis foetida L., in the fruits of Pinus avium, in the rind of Rauqolfia caffra, in the leaves of Ceanothus velutinus and in the essential oil of Cinnamomum cassia and of tobacco leaves.
Also reported found in grapes, tomato, baked potato, cinnamon bark, cassia leaf, peppermint oil, pennyroyal oil, parmesan cheese, butter, milk powder, roasted chicken, beer, rum, Japanese whiskey, sherry, coffee, tea, soybean, mushroom, buckwheat, Bourbon vanilla, Chinese quince, Muscat grape, vanilla and mastic gum oil.

Preparation of Salicylaldehyde:
Salicylaldehyde is synthesized from phenol, chloroform, and alkali according to the Reimer–Tiemman method, which was developed in 1876.
Starting material for the manufacture of coumarin.

Production of Salicylaldehyde:
Salicylaldehyde is produced by condensation of phenol with formaldehyde to give hydroxybenzyl alcohol, which is oxidized to the aldehyde.
Salicylaldehydes in general are prepared by ortho-selective formylation reactions from the corresponding phenol, for instance by the Duff reaction, Reimer–Tiemann reaction, or by treatment with paraformaldehyde in the presence of magnesium chloride and a base.[5][6]

Reactions and Applications of Salicylaldehyde:
Salicylaldehyde is mainly used commercially as a precursor to coumarin.
The conversion entails condensation with acetic anhydride ("Perkin synthesis").

Oxidation with hydrogen peroxide gives catechol (1,2-dihydroxybenzene) (Dakin reaction).
Etherification with chloroacetic acid followed by cyclisation gives the heterocycle benzofuran (coumarone).

The first step in this reaction to the substituted benzofuran is called the Rap–Stoermer condensation after E. Rap (1895) and R. Stoermer (1900).
Salicylaldehyde is converted to chelating ligands by condensation with amines.

With ethylenediamine, Salicylaldehyde condenses to give the ligand salen.
Hydroxylamine gives salicylaldoxime.

Condensation with diethyl malonate gives 3-carbethoxycoumarin (a derivative of coumarin) by an aldol condensation.
Elbs persulfate oxidation gives gentisaldehyde (2,5-dihydroxybenzaldehyde).

Reactions:
Salicylaldehyde functions as a safe monoaldehyde crosslinker exhibiting various biological activities.
Salicylaldehyde serves as a reactant in condensation reactions to synthesize Schiff bases and their derivatives, including the specific compound SB-1 formed by reaction with p-toluidine.

Natural Occurrences of Salicylaldehyde:
Salicylaldehyde is a characteristic aroma component of buckwheat.
Salicylaldehyde also occurs in the larval defensive secretions of several leaf beetle species that belong the subtribe Chrysomelina.
An example for a leaf beetle species that produces salicylaldehyde is the red poplar leaf beetle Chrysomela populi.

Internal Hydrogen Bonding:
Due to the ortho positioning of the hydroxy- and aldehyde groups, an internal hydrogen bond is formed between the groups.
The hydroxy group serves here as the hydrogen bond donor, and the aldehyde as hydrogen bond acceptor.

This internal hydrogen is not found in the other hydroxybenzaldehyde isomers.
When the aldehyde is reacted with an amine to form an imine, the internal hydrogen bond is even stronger.

In addition, tautomerisation, which is especially prevalent in polar solvents, can further increase the stability of the compound.
The internal hydrogen bond also ensures that the aldehyde (or corresponding imine) is held into the same plane, making the whole molecule essentially flat.

Stability and Reactivity of Salicylaldehyde:

Chemical stability:
Salicylaldehyde is generally stable under normal ambient temperatures and recommended storage conditions.

Reactivity:
Salicylaldehyde may react with strong oxidizing agents and other highly reactive substances.

Conditions to avoid:
Avoid excessive heat, open flames, sparks, prolonged exposure to air, and contact with incompatible materials.

Incompatible materials:
Avoid strong oxidizing agents, strong bases, strong reducing agents, and other highly reactive chemicals.

Hazardous decomposition products:
Thermal decomposition or combustion may produce carbon monoxide, carbon dioxide, and irritating organic fumes.

Handling and Storage of Salicylaldehyde:

Safe handling:
Handle in a well-ventilated area and avoid unnecessary contact with the skin and eyes.
Prevent vapor accumulation and keep away from heat and ignition sources.

Storage conditions:
Keep the container tightly closed in a cool, dry, and well-ventilated place.
Protect from heat, direct sunlight, and incompatible materials.

First Aid Measures of Salicylaldehyde:

Inhalation:
Move the affected person to fresh air and keep them comfortable for breathing.
Seek medical attention if symptoms develop or persist.

Skin contact:
Remove contaminated clothing and wash the affected area thoroughly with plenty of water and soap.
Obtain medical advice if irritation persists.

Eye contact:
Rinse cautiously with plenty of water for several minutes.
Remove contact lenses if present and easy to do and continue rinsing.
Seek medical attention if irritation persists.

Ingestion:
Rinse the mouth thoroughly with water.
Seek medical attention if discomfort or adverse symptoms occur.

Firefighting Measures of Salicylaldehyde:

Suitable extinguishing media:
Use dry chemical, dry sand, carbon dioxide, water spray, or alcohol-resistant foam as appropriate for the surrounding fire conditions.

Specific fire considerations:
Salicylaldehyde is a combustible liquid with a reported closed-cup flash point of approximately 77°C.

Protective equipment:
Firefighters should wear suitable protective clothing and self-contained breathing apparatus where necessary.

Fire-related decomposition:
Combustion may generate carbon monoxide, carbon dioxide, and irritating fumes.

Accidental Release Measures of Salicylaldehyde:

Personal precautions:
Provide adequate ventilation, remove potential ignition sources, and avoid direct contact with spilled material.
Wear suitable personal protective equipment during cleanup.

Cleanup methods:
Absorb the liquid with sand, earth, or another suitable inert absorbent material.
Collect the absorbed material carefully and place it in an appropriate closed container for disposal.

Environmental precautions:
Prevent uncontrolled release into drains, waterways, and soil.

Exposure Controls/Personal Protective of Salicylaldehyde:

Engineering controls:
Provide adequate general ventilation or local exhaust ventilation to minimize vapor concentrations.

Eye protection:
Wear suitable safety glasses, chemical protective goggles, or face protection where appropriate.

Hand protection:
Wear suitable chemical-resistant protective gloves.

Skin protection:
Wear appropriate laboratory or industrial protective clothing to minimize direct contact.

Respiratory protection:
Use suitable respiratory protection when ventilation is insufficient or significant vapor exposure may occur.

Hygiene measures:
Wash hands and exposed skin thoroughly after handling.
Do not eat, drink, or smoke in areas where salicylaldehyde is handled or stored.

Identifiers of Salicylaldehyde:
Grade: For Synthesis
Purity: 99%
CAS No.: 90-02-8
Molecular Formula: C7H6O2
Molecular Weight: 122.12
H.S. Code: 2912.2990

CAS No.: 90-02-8
Chemical Name: Salicylaldehyde
CBNumber: CB6127950
Molecular Formula: C7H6O2
Molecular Weight: 122.12
MDL Number: MFCD00003317

CAS Number: 90-02-8
Beilstein Reference: 471388
ChEBI: CHEBI:16008
ChEMBL: ChEMBL108925
ChemSpider: 13863618
ECHA InfoCard: 100.001.783
EC Number: 201-961-0
Gmelin Reference: 3273
KEGG: C06202
PubChem CID: 6998
UNII: 17K64GZH20
CompTox Dashboard (EPA): DTXSID1021792
InChI: InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
Key: SMQUZDBALVYZAC-UHFFFAOYSA-N
InChI: InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
Key: SMQUZDBALVYZAC-UHFFFAOYAD
SMILES: O=Cc1ccccc1O

Product Number: S0004
Purity / Analysis Method: >98.0%(GC)
Molecular Formula / Molecular Weight: C7H6O2 = 122.12
Physical State (20 deg.C): Liquid
Storage Temperature: Room Temperature (Recommended in a cool and dark place, <15°C)
Store Under Inert Gas: Store under inert gas
Condition to Avoid: Light Sensitive,Air Sensitive
CAS RN: 90-02-8
Reaxys Registry Number: 471388
PubChem Substance ID: 87575635
SDBS (AIST Spectral DB): 1549
Merck Index (14): 8326
MDL Number: MFCD00003317

CAS: 90-02-8
IUPAC Name: 2-hydroxybenzaldehyde
Molecular Formula: C7H6O2
InChI Key: SMQUZDBALVYZAC-UHFFFAOYSA-N
SMILES: OC1=CC=CC=C1C=O
Molecular Weight (g/mol): 122.12

Linear Formula: 2-(HO)C6H4CHO
CAS Number: 90-02-8
Molecular Weight: 122.12
UNSPSC Code: 12352100
NACRES: NA.22
PubChem Substance ID: 24899563
MDL Number: MFCD00003317
Beilstein/REAXYS Number: 471388
Assay: 98%

Properties of Salicylaldehyde:
Grade: reagent grade
Quality Segment: 200
Vapor Density: 4.2 (vs air)
Vapor Pressure: 1 mmHg (33 °C)
Assay: 98%
Impurities: ≤1% phenol
Refractive Index: n20/D 1.573 (lit.)
Boiling Point: 197 °C (lit.)
Melting Point: 1-2 °C (lit.)
Density: 1.146 g/mL at 25 °C (lit.)
Functional Group: aldehyde
SMILES String: Oc1ccccc1C=O
InChI: 1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
InChI Key: SMQUZDBALVYZAC-UHFFFAOYSA-N

Physical State at 20 °C: Liquid
Colour: Brown coloured
Odour: Bitter almonds
Melting Point / Freezing Point [°C]: 1 - 2 °C
Flash Point [°C]: 77 °C
Boiling Point [°C]: 197 °C
Vapour Pressure mm/Hg: 1mm Hg @ 330C
Vapour Density: 4.22
Density [g/cm3]: 1.146
Solubility in Water [% weight]: Slightly soluble in water

Melting Point: 1-2 °C (lit.)
Boiling Point: 197 °C (lit.)
Density: 1.146 g/mL at 25 °C (lit.)
Vapor Density: 4.2 (vs air)
Vapor Pressure: 1 mm Hg (33 °C)
Refractive Index: n20/D 1.573(lit.)
FEMA: 3004 | SALICYLALDEHYDE
FLAVIS Number: 05.055 | Salicylaldehyde
Flash Point: 170 °F
Storage Temperature: -20°C
Solubility: 4.9g/l
Form: Liquid
pKa: 8.37(at 25℃)
Color: Clear yellow
PH: 6-8 (H2O, 20℃)Not applicable
Odor: Bitter almonds
Odor Type: medicinal
Biological Source: synthetic
Water Solubility: slightly soluble
Specific Heat Capacity: Cp(liquid): 1.82 J/(g·K), at 25℃
Sensitive: Air & Light Sensitive
JECFA Number: 897
Merck: 14,8326
BRN: 471388
Henry's Law Constant: 1.1×100 mol/(m3Pa) at 25℃, Ji et al. (2008)
Exposure Limits: ACGIH: TWA 5 ppm (Skin)
OSHA: TWA 5 ppm(19 mg/m3)
NIOSH: IDLH 250 ppm; TWA 5 ppm(19 mg/m3); Ceiling 15.6 ppm(60 mg/m3)
Dielectric Constant: 13.9(20℃)
Stability: Stable. Combustible. Incompatible with strong bases, strong reducing agents, strong acids, strong oxidizing agents.
Cosmetics Ingredients Functions: FRAGRANCE
InChI: 1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
InChIKey: SMQUZDBALVYZAC-UHFFFAOYSA-N
SMILES: Oc1ccccc1C=O
LogP: 1.66 at 25℃ and pH6.2-6.3
CAS DataBase Reference: 90-02-8(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): SALICYLALDEHYDE
FDA 21 CFR: 172.515
EWG's Food Scores: 1
FDA UNII: 17K64GZH20
NIST Chemistry Reference: Benzaldehyde, 2-hydroxy-(90-02-8)
EPA Substance Registry System: Salicylaldehyde (90-02-8)
UNSPSC Code: 41116107
NACRES: NA.24

Chemical Formula: C7H6O2
Molar Mass: 122.123 g·mol−1
Density: 1.146 g/cm3
Melting Point: −7 °C (19 °F; 266 K)
Boiling Point: 196 to 197 °C (385 to 387 °F; 469 to 470 K)
Magnetic Susceptibility (χ): −64.4·10−6 cm3/mol

Molecular Weight: 122.12 g/mol
XLogP3: 1.8
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 1
Exact Mass: 122.036779430 Da
Monoisotopic Mass: 122.036779430 Da
Topological Polar Surface Area: 37.3 Å²
Heavy Atom Count: 9
Complexity: 101
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

Specifications of Salicylaldehyde:
Appearance: Colorless to Light yellow to Light orange clear liquid
Purity (GC): min. 98.0 %
Density (20deg.C): 1.1630 to 1.1680 g/mL
NMR: confirm to structure

Form: Liquid
Refractive Index: 1.5715-1.5745 @ 20?C
Appearance (Color): Clear, colourless to pale yellow
Assay (GC): ≥98.5%
Impurity Content: Phenol: ≤1.0%
Identification (FTIR): Conforms

Related compounds of Salicylaldehyde:
Salicylic acid
Benzaldehyde
Salicylaldoxime

Names of Salicylaldehyde:

Preferred IUPAC name:
2-Hydroxybenzaldehyde

Other names:
Salicylaldehyde
Salicylic aldehyde
o-Hydroxybenzaldehyde