ChemicalBook--->CAS DataBase List--->112-17-4

112-17-4

112-17-4 Structure

112-17-4 Structure
IdentificationMore
[Name]

N-DECYL ACETATE
[CAS]

112-17-4
[Synonyms]

ACETATE C-10
ACETIC ACID N-DECYL ESTER
CAPRYL ACETATE
DECANOL ACETATE
DECANYL ACETATE
DECYL ACETATE
DECYL ETHANOATE
FEMA 2367
N-DECYL ACETATE
1-Decanol acetate
1-decanolacetate
1-decylacetate
Acetic acid, decyl ester
Aceticacid,decylester
aceticaciddecylester
decyl
Decyl ester of acetic acid
decylalcohol,acetate
n-Decyl ethanoate
DECYL ACETATE 95+%
[EINECS(EC#)]

203-942-2
[Molecular Formula]

C12H24O2
[MDL Number]

MFCD00026538
[Molecular Weight]

200.32
[MOL File]

112-17-4.mol
Chemical PropertiesBack Directory
[Melting point ]

-15.03°C
[Boiling point ]

126-127 °C20 mm Hg(lit.)
[density ]

0.863 g/mL at 25 °C(lit.)
[vapor pressure ]

2.48Pa at 25.9℃
[FEMA ]

2367
[refractive index ]

n20/D 1.427(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

Insoluble in water
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. waxy clean fresh laundered cloths citrus soapy
[biological source]

synthetic
[Odor Type]

waxy
[Water Solubility ]

2.07mg/L at 20℃
[Thermal Conductivity]

0.148 W/(m·K) at 25 ℃
[JECFA Number]

132
[BRN ]

1762123
[Henry's Law Constant]

2.8×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3
[InChIKey]

NUPSHWCALHZGOV-UHFFFAOYSA-N
[SMILES]

CCCCCCCCCCOC(C)=O
[LogP]

5.6 at 35℃
[CAS DataBase Reference]

112-17-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Acetic acid, n-decyl ester(112-17-4)
[EPA Substance Registry System]

112-17-4(EPA Substance)
Safety DataBack Directory
[WGK Germany ]

2
[RTECS ]

AG5235000
[TSCA ]

Yes
[HS Code ]

2915.39.9000
[REACH Registrations]

Active
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits were reported as >5 g/kg(Levenstein, 1974).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Decanol-->n-Capric acid n-decyl ester-->Ethanol
Hazard InformationBack Directory
[Chemical Properties]

Decyl acetate has a floral, orange-rose odor and characteristic flavor. At high dilution, it has a sweet flavor with a pineapple-like undertone. Traces of this compound are used in apple, orange and rum flavors.
[Occurrence]

Reported found in orange, lemon, melon, apple, plums, citrus peel oils, grapefruit, orange, grapefruit juice, strawberry fruit, blue cheese, cognac and cardamom.
[Uses]

Decyl acetate finds little use in perfume compositions as a modifier for Linalyl acetate and generally as a ‘“fresh’” note in delicate florals (Muguet, etc. ) or in aldehydic top note compositions. It blends excellently with Dodecanal (Aldehyde C-1 2, Laurie). Finds some use in flavour compositions, mainly for imitation Apple, Berry, Honey, Orange, Peach, Plum, etc. and also in Rum flavours. The concentration of Decyl acetate in the functional product amounts usually to traces only.
[Definition]

ChEBI: Decyl acetate is a carboxylic ester.
[Preparation]

By direct acetylation on n-decanol with acetic acid via azeotropic conditions or using acetic anhydride.
[Aroma threshold values]

Detection: 225 to 1000 ppb
[Taste threshold values]

Taste characteristics at 20 ppm: waxy, soapy and fatty.
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

N-DECYL ACETATE(112-17-4)MS
N-DECYL ACETATE(112-17-4)1HNMR
N-DECYL ACETATE(112-17-4)13CNMR
N-DECYL ACETATE(112-17-4)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

n-Decyl acetate, 98%(112-17-4)
[Sigma Aldrich]

112-17-4(sigmaaldrich)
[TCI AMERICA]

Decyl Acetate,>98.0%(GC)(112-17-4)
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