ChemicalBook--->CAS DataBase List--->110-39-4

110-39-4

110-39-4 Structure

110-39-4 Structure
IdentificationMore
[Name]

OCTYL BUTYRATE
[CAS]

110-39-4
[Synonyms]

FEMA 2807
N-OCTYL BUTYRATE
N-OCTYL-N-BUTYRATE
OCTYL BUTYRATE
OCTYL-N-BUTYRATE
Butanoicacid,octylester
n-Octyl butanoate
Octyl butanoate
Octylbutanoate
CAPRYLYL BUTYRATE
Butyric acid n-octyl ester
OCTYL BUTYRATE 98+%
OCTYL BUTYRATE >=95% NATURAL
1-OCTYLBUTYRATE
OCTYL BUTYRATE, NATURAL
[EINECS(EC#)]

203-762-4
[Molecular Formula]

C12H24O2
[MDL Number]

MFCD00048939
[Molecular Weight]

200.32
[MOL File]

110-39-4.mol
Chemical PropertiesBack Directory
[Melting point ]

-56 °C (lit.)
[Boiling point ]

224 °C (lit.)
[density ]

0.862 g/mL at 25 °C(lit.)
[FEMA ]

2807
[refractive index ]

n20/D 1.425(lit.)
[Fp ]

218 °F
[storage temp. ]

Storage temp. 2-8°C
[Appearance]

Colorless to light yellow Liquid
[Odor]

at 100.00 %. fresh waxy fruity green oily earthy creamy natural jasmin
[biological source]

synthetic
[Odor Type]

fruity
[Thermal Conductivity]

0.134 W/(m·K) at 25 ℃
[JECFA Number]

155
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

FRAGRANCE
SKIN CONDITIONING
PERFUMING
[Cosmetic Ingredient Review (CIR)]

OCTYL BUTYRATE (110-39-4)
[InChI]

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

PWLNAUNEAKQYLH-UHFFFAOYSA-N
[SMILES]

C(OCCCCCCCC)(=O)CCC
[LogP]

4.96
[CAS DataBase Reference]

110-39-4(CAS DataBase Reference)
[EPA Substance Registry System]

Butanoic acid, octyl ester (110-39-4)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H317-H411
[Precautionary statements ]

P501-P261-P273-P272-P280-P302+P352-P391-P362+P364-P333+P313
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

Yes
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Octanol-->Butyric Acid
Hazard InformationBack Directory
[Description]

Octyl butyrate has a green, herbaceous odor remotely reminiscent of orange but more so of galbanum and parsley with a sweet, melon-like flavor. It may be synthesized from n-octanol and butyric acid in the presence of HCl.
[Chemical Properties]

Octyl butyrate has a green, herbaceous odor remotely reminiscent of orange, but more so of galbanum and parsley and a sweet, melon-like flavor.
[Occurrence]

Reported found in the essential oil of Heracelum villosum Fisch. and from the fruits of Pastinaca sativa. Also reported found in fresh apple, orange juice, melon, strawberry fruit, beer, purple passion fruit juice, purple passion fruit, yellow passion fruit, fresh plums, mountain papaya and okra.
[Uses]

OCTYL BUTYRATE is used for blending food flavorings and daily chemical flavorings.
[Definition]

ChEBI: Octyl butanoate is a carboxylic ester.
[Preparation]

From n-octanol and butyric acid in the presence of HCl.
[Aroma threshold values]

Detection: 8.2 ppm
[Taste threshold values]

Taste characteristics at 20 ppm: waxy, fruity and green with a sweet, creamy nuance.
[General Description]

Octyl butyrate is one of the major constituents of the essential oils of Heracleum sphondylium subsp. Ternatum. It occurs naturally in the mature fruit?of wild parsnip and muskmelon. Octyl butyrate is also a promising candidate as a lure for yellowjackets.
Spectrum DetailBack Directory
[Spectrum Detail]

OCTYL BUTYRATE(110-39-4)MS
OCTYL BUTYRATE(110-39-4)1HNMR
OCTYL BUTYRATE(110-39-4)13CNMR
OCTYL BUTYRATE(110-39-4)IR1
OCTYL BUTYRATE(110-39-4)IR2
OCTYL BUTYRATE(110-39-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

n-Octyl butyrate, 97%(110-39-4)
[Sigma Aldrich]

110-39-4(sigmaaldrich)
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