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DECANAL

Decanal is also used in air care products, laundry and dishwashing products, and personal care products.
Decanal is used in fragrances and flavoring.
Decanal is also used in air care products, laundry and dishwashing products, and personal care products.

CAS Number: 112-31-2
EC Number: 203-957-4
Molecular Formula: C10H20O
Molecular Weight: 156.26 g/mol

SYNONYMS:
Decyl aldehyde, caprinaldehyde, capric aldehyde, 1-decanal, n-decanal, aldehyde C10, decaldehyde, Decanal, Decyl aldehyde, caprinaldehyde, Decanal, Decyl aldehyde, 112-31-2, Caprinaldehyde, 1-Decanal, n-Decyl aldehyde, Capric aldehyde, n-Decanal, DECALDEHYDE, n-Decaldehyde, 1-Decyl aldehyde, Aldehyde C10, Decylic aldehyde, Caprinic aldehyde, C-10 aldehyde, Decanal (natural), FEMA No. 2362, Aldehyde C-10, NSC 6087, HSDB 288, EINECS 203-957-4, UNII-31Z90Q7KQJ, BRN 1362530, 31Z90Q7KQJ, DTXSID4021553, CHEBI:31457, AI3-04860, NSC-6087, DTXCID801553, EC 203-957-4, 112-81-2, 203-957-4, Capraldehyde, Decanaldehyde, MFCD00007031, NSC6087, Dacanal, DECANAL [FHFI], DECANAL [FCC], Decyl aldehyde (Standard), DECALDEHYDE [HSDB], SCHEMBL2540, WLN: VH9, Decanal, analytical standard, N-decanal (capric aldehyde), decanal (ACD/Name 4.0), SCHEMBL74106, SCHEMBL351608, SCHEMBL3667866, SCHEMBL4417923, SCHEMBL9843844, CHEMBL2228377, SCHEMBL27746883, SCHEMBL28530353, KSMVZQYAVGTKIV-UHFFFAOYSA-, Decanal, natural, >=97%, FG, Decanal, >=95%, FCC, FG, Decanal, >=98% (GC), liquid, HY-W012570R, Tox21_302656, LMFA06000052, MSK014048, s5376, SBB058676, AKOS000120018, CCG-266266, CS-W013286, FD34293, HY-W012570, NCGC00256769-01, BP-14109, CAS-112-31-2, LS-13888, DB-041074, D0032, NS00003646, ST51037233, EN300-20146, F85622, Q903525, Z104477054, InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3, aldehyde C 10 decylic food grade, aldehyde C-10, aldehyde C-10 (natural), aldehyde C-10 extra, aldehyde C-10 FCC, aldehyde C-10 natural, aldehyde C-10, 25%, natural, aldehyde C-10, 50% natural, aldehyde C-10, 50%, natural, aldehyde C-10, natural, aldehyde C10, capraldehyde, capric aldehyde, caprinaldehyde, caprinic aldehyde, decaldehyde, N-decaldehyde, 1-decanal, N-decanal, decanal (aldehyde C-10), decanal (orange C10 ald) natural, decanal 50% extra natural, decanal 50% in ETOH natural, decanal 50% natural citrustt, decanal 50%, natural, decanal 65% (natural), decanal 80% natural, decanal 90%, natural, decanal BRI, decanal classic 25% natural, decanal natural, decanal, natual ex citrus, decanaldehyde, decyl aldehyde, 1-decyl aldehyde, N-decyl aldehyde, decylic aldehyde, decanal, decanal (natural), N-decanal, caprinic aldehyde, capraldehyde, 1-decanal (mixed isomers), caprinaldehyde, aldehyde C10, C-10 aldehyde, capric aldehyde, Caprinaldehyde, Decyl aldehyde, 1-Decanal, 1-Decyl aldehyde, Aldehyde c10, C-10 Aldehyde, Capraldehyde, Capric aldehyde, Caprinaldehyde, Caprinic aldehyde, Decaldehyde, Decanal, Decanaldehyde, Decyl aldehyde, Decylic aldehyde, N-decaldehyde, N-decanal, N-decanal (capric aldehyde), N-decyl aldehyde, 1-Decanal(mixed isomers), Decanal (acd/name 4.0), decyl aldehyde, capraldehyde, caprinaldehyde, decanaldehyde, n-decyl aldehyde, capric aldehyde, 1-decanal, n-decanal, n-decaldehyde, 1-decyl aldehyde, 1-Decanal, 1-Decyl aldehyde, 1-nonanecarbaldehyde, Aldehyde C10, C-10 Aldehyde, CAPRALDEHYDE, CAPRIC ALDEHYDE, Caprinaldehyde, Caprinic aldehyde, Decaldehyde, Decanaldehyde, Decyl aldehyde, Decylic aldehyde, N-DECALDEHYDE, NSC 6087, n-Decanal, n-Decanal (capric aldehyde), n-Decyl aldehyde, Capraldehyde, Capric aldehyde, Decaldehyde, Decanal, Decyl aldehyde, Decylic aldehyde, C10H20O, Capraldehyde, Capric Aldehyde, Decyl Aldehyde, Decanal (Aldehyde C-10),

Decanal is an aldehyde.
Decanal is an organic compound, typically appearing as a pale yellow liquid with a waxy-orange aroma.
Decanal appears as a component of some of the essential oil fragrances we use in our products.

Decanal is in a class of chemicals known as aldehydes, which can be found in trace amounts in many plants and their essential oils.
Decanal is naturally present in citrus fruits such as Clementine Oranges (Citrus reticulata), Grapefruit (Citrus paradisi) and Limes (Citrus aurantifolia).

Decanal is also found in the leaves of plants such as Coriander (Coriandrum sativum) and Parsley (Petroselinum crispum).
Decanal is considered a useful ingredient in the creation of fragrances, blending well with florals and enhancing potency and diffusion.
Decanal occurs in nature and is an important component in citrus along with octanal, citral, and sinensal.

Decanal is also an important component of buckwheat odour.
Decanal is an organic compound with the chemical formula C9H19CHO.
Decanal is the simplest ten-carbon aldehyde.

Decanal occurs naturally and is used in fragrances and flavoring.
Decanal occurs in nature and is an important component in citrus along with octanal, citral, and sinensal.
Decanal can be prepared by oxidation of the related alcohol decanol.

Decanal, also known as 1-decyl aldehyde or capraldehyde, belongs to the class of organic compounds known as medium-chain aldehydes.
These are aldehydes with a chain length containing between 6 and 12 carbon atoms.
Thus, decanal is considered to be a fatty aldehyde lipid molecule.

Decanal is a very hydrophobic molecule.
Decanal is practically insoluble in water.
Decanal is relatively neutral.

Decanal exists in all eukaryotes, ranging from yeast to humans.
Decanal is an organic compound with the chemical formula CH₃(CH₂)₈CHO.
Decanal is a colorless oil.

Decanal is classified as an aldehyde.
Decanal is a colorless to light yellow liquid with a pleasant odor.
Decanal floats on water.

Decanal's freezing point is 64 °F.
Decanal is a saturated fatty aldehyde formally arising from reduction of the carboxy group of capric acid (decanoic acid).
Decanal has a role as an antifungal agent, a fragrance, and a plant metabolite.

Decanal is a saturated fatty aldehyde.
Decanal is a n-alkanal.
Decanal is a medium-chain fatty aldehyde.

Decanal has been reported in Camellia sinensis, Gymnodinium nagasakiense, and other organisms with data available.
Decanal is an organic compound with the chemical formula C₉H₁₉CHO.
Decanal is the simplest ten-carbon aldehyde.

Decanal occurs naturally and is used in fragrances and flavoring.
Decanal occurs in nature and is an important component in citrus along with octanal, citral, and sinensal.

Decanal is also an important component of buckwheat odour.
Decanal is a metabolite found in or produced by Saccharomyces cerevisiae.

Decanal, also known as n-decyl aldehyde or caprinaldehyde, belongs to the class of organic compounds known as medium-chain aldehydes.
These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
Thus, decanal is considered to be a fatty aldehyde lipid molecule.

Decanal is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.
Decanal is a sweet, aldehydic, and citrus tasting compound.

Decanal is found, on average, in the highest concentration within a few different foods, such as corianders, dills, and gingers.
Decanal is found in a lower concentration in limes, sweet oranges, and safflowers.

Decanal has also been detected, but not quantified in, several different foods, such as fishes, cauliflowers, citrus, fats and oils, and lemon grass.
This could make decanal a potential biomarker for the consumption of these foods.

USES and APPLICATIONS of DECANAL:
Decanal is used in fragrances and flavoring.
Decanal is an important component in citrus along with octanal, citral, and sinensal.
Decanal is also used in air care products, laundry and dishwashing products, and personal care products.

Decanal is used in fragrances and flavoring.
Decanal is an important component in citrus along with octanal, citral, and sinensal.
Decanal is also used in air care products, laundry and dishwashing products, and personal care products.

Flavors & fragrances: Decanal imparts sweet, citrusy-orange, floral, waxy notes; used in perfumes, food flavorings (e.g., green tea aroma enhancement).
Industrial intermediate: Decanal is used in fragrance concentrate formulations and as a precursor in organic synthesis.
Decanal occurs naturally and is used in fragrances and flavoring.

ALTERNATIVE PARENTS OF DECANAL:
*Alpha-hydrogen aldehydes
*Organic oxides
*Hydrocarbon derivatives

SUBSTITUENTS OF DECANAL:
*Medium-chain aldehyde
*Alpha-hydrogen aldehyde
*Organic oxide
*Hydrocarbon derivative
*Aliphatic acyclic compound

OCCURRENCE OF DECANAL:
Decanal occurs naturally in citrus, along with octanal, citral, and sinensal.
Decanal is found in buckwheat.

Decanal is found in coriander essential oil.
Decanal is used in fragrances and flavoring.

PREPARATION OF DECANAL:
Decanal can be prepared by oxidation of the related alcohol decanol.

SOLUBILITY OF DECANAL:
Decanal is insoluble in water.

NOTES OF DECANAL:
Decanal is air sensitive.
Store Decanal away from strong oxidizing agents.

Keep Decanal container tightly closed.
Store Decanal in cool, dry conditions in well-sealed containers.

OCCURRENCE & PREPARATION OF DECANAL:
Natural sources:
Decanal is found in citrus essential oils (orange, grapefruit, lime, coriander, small grains like buckwheat).

SYNTHESIS METHOD OF DECANAL:
Decanal is commonly produced by oxidation of decanol (decan-1-ol) using chromium trioxide/pyridine.

ODOR DESCRIPTION OF DECANAL:
Decanal has citrus-aldehydic (citrus peel), fresh, sweetish.
Decanal is a classic molecule from the group of so-called aliphatic aldehydes.

Like other substances in this family, Decanal has an extremely strong, fresh scent with a citrus character.
Decanal features an additional note reminiscent of lemon or orange peel.

NOTES OF DECANAL:
Decanal is a very strong ingredient; we recommend diluting it to 1%.
Store in a cool place.

PHYSICAL and CHEMICAL PROPERTIES of DECANAL:
IUPAC name: Decanal
Chemical formula: C₁₀H₂₀O (CH₃(CH₂)₈CHO)
CAS number: 112‑31‑2
EC number: 203‑957‑4
PubChem CID: 8175
ChemSpider ID: 7883

Appearance: Colorless oily liquid
Density: ~0.83 g/mL (20–25 °C)
Melting point: ~7 °C
Boiling point: 207–209 °C
Vapor pressure: ~0.15 mmHg (≈8 Pa) at 20 °C
Refractive index (n²⁰/D): 1.428
Solubility: Practically insoluble in water (~48 mg/L at 25 °C)
Molar mass: 156.27 g/mol
Structure: Linear ten-carbon chain terminating in an aldehyde functional group

Acentric factor: 0.634
Vaporization enthalpy (ΔvapH°): ~60 kJ/mol
Octanol–water partition coefficient (log P): ~3.3
Chemical formula: C10H20O
Molar mass: 156.269 g·mol−1
Appearance: Colorless liquid
Density: 0.83 g/mL
Melting point: 7 °C (45 °F; 280 K)

Boiling point: 207 to 209 °C (405 to 408 °F; 480 to 482 K)
Molecular Weight: 156.26 g/mol
XLogP3-AA: 3.8
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 8
Exact Mass: 156.151415257 Da
Monoisotopic Mass: 156.151415257 Da
Topological Polar Surface Area: 17.1 Å²
Heavy Atom Count: 11

Formal Charge: 0
Complexity: 78.9
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

CAS number: 112-31-2
EC number: 203-957-4
Hill Formula: C₁₀H₂₀O
Chemical formula: CH₃(CH₂)₈CHO
Molar Mass: 156.27 g/mol
HS Code: 2912 19 99
Boiling point: 207 - 209 °C (1013 hPa)
Density: 0.83 g/cm3 (20 °C)
Flash point: 83 °C
Ignition temperature: 200 °C

Melting Point: 7 °C
Vapor pressure: 8.2 Pa (20 °C)
Molecular Formula / Molecular Weight: C10H20O = 156.27
Physical State (20 deg.C): Liquid
Storage Temperature: Refrigerated (0-10°C)
Store Under Inert Gas: Store under inert gas
Condition to Avoid: Air Sensitive,Heat Sensitive
CAS RN: 112-31-2
Reaxys Registry Number: 1362530

PubChem Substance ID: 87566786
MDL Number: MFCD00007031
Beilstein Number: 1362530
MDL: MFCD00007031
CoE Number: 98
XlogP3-AA: 3.80 (est)
Molecular Weight: 156.26860000
Formula: C10 H20 O

Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: Yes
Specific Gravity: 0.82400 to 0.83200 @ 25.00 °C.
Pounds per Gallon - (est).: 6.857 to 6.923
Specific Gravity: 0.82300 to 0.83100 @ 20.00 °C.
Pounds per Gallon - est.: 6.856 to 6.923
Refractive Index: 1.42700 to 1.43400 @ 20.00 °C.
Melting Point: 17.00 to 18.00 °C. @ 760.00 mm Hg

Boiling Point: 207.00 to 209.00 °C. @ 760.00 mm Hg
Boiling Point: 124.00 to 125.00 °C. @ 50.00 mm Hg
Acid Value: 10.00 max. KOH/g
Vapor Pressure: 0.207000 mmHg @ 25.00 °C. (est)
Vapor Density: >1 ( Air = 1 )
Flash Point: 181.00 °F. TCC ( 83.00 °C. )
logP (o/w): 3.970 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.

torage: store in cool, dry place in tightly sealed containers,
protected from heat and light.
store under nitrogen.
Storage: store under nitrogen.
Soluble in: alcohol
dipropylene glycol
fixed oils
propylene glycol
water, 43.52 mg/L @ 25 °C (est)
Insoluble in: glycerin

Stability: antiperspirant
cream
deodorant spray
non-discoloring in most media
soap
CAS: 112-31-2
IUPAC Name: decanal
Molecular Formula: C10H20O
InChI Key: KSMVZQYAVGTKIV-UHFFFAOYSA-N

SMILES: CCCCCCCCCC=O
Molecular Weight (g/mol): 156.27
Free acid (titration): ≤2%
Assay (GC): ≥95.0%
Appearance (Color): Clear colorless
Form: Liquid
Refractive Index: 1.4250-1.4310 @ 20 °C
Linear Formula: CH3(CH2)8CHO
CAS Number: 112-31-2
Molecular Weight: 156.27
FEMA Number: 2362

Beilstein: 1362530
EC Number: 203-957-4
Council of Europe no.: 98c
MDL number: MFCD00007031
UNSPSC Code: 12164502
PubChem Substance ID: 24901017
Flavis number: 5.010
NACRES: NA.21

grade: FG
biological source: Cocos nucifera
food allergen: tree nuts
Physical state: clear, liquid
Color: light yellow
Odor: No data available
Melting point/freezing point: No data available
Initial boiling point and boiling range: 207 - 209 °C - lit.

Flammability (solid, gas): No data available
Upper/lower flammability or explosive limits: No data available
Flash point: 83 °C - closed cup
Autoignition temperature: No data available
Decomposition temperature: No data available
pH: No data available
Viscosity, kinematic: No data available
Viscosity, dynamic: No data available

Water solubility: 0.0294 g/l at 20 °C
Partition coefficient: n-octanol/water: log Pow: 3.8 at 35 °C
Vapor pressure: 0.1 hPa at 20 °C
Density: 0.83 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: No data available
Surface tension: 59.9 - 60.1 mN/m at 18.2 °C
Relative vapor density: 5.4 - (Air = 1.0)
CAS number: 112-31-2
Weight Average: 156.2652
Weight Monoisotopic: 156.151415262
InChI Key: KSMVZQYAVGTKIV-UHFFFAOYSA-N
InChI: InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

IUPAC Name: decanal
Traditional IUPAC Name: decanal
Chemical Formula: C10H20O
SMILES: CCCCCCCCCC=O
CAS: 112-31-2
Molecular Formula: C10H20O
Molecular Weight (g/mol): 156.269
MDL Number: MFCD00007031
PubChem CID: 8175

ChEBI: CHEBI:31457
IUPAC Name: decanal
SMILES: CCCCCCCCCC=O
Water Solubility: 0.0077 g/L
logP: 4.44
logP: 3.43
logS: -4.3
pKa (Strongest Acidic): 17.79
pKa (Strongest Basic): -6.9
Physiological Charge: 0

Hydrogen Acceptor Count: 1
Hydrogen Donor Count: 0
Polar Surface Area: 17.07 Å²
Rotatable Bond Count: 8
Refractivity: 48.55 m³·mol⁻¹
Polarizability: 20.66 Å³
Number of Rings: 0
Bioavailability: 1

Rule of Five: Yes
Ghose Filter: Yes
Veber's Rule: Yes
MDDR-like Rule: Yes
InChI: InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
InChI Key: KSMVZQYAVGTKIV-UHFFFAOYSA-N
Formula: C10H20O
SMILES: CCCCCCCCCC=O
Molecular Weight1: 156.27
CAS: 112-31-2

FIRST AID MEASURES of DECANAL:
-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 DECANAL:
-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 DECANAL:
-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 DECANAL:
-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 DECANAL:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
Dry.

STABILITY and REACTIVITY of DECANAL:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available