ChemicalBook--->CAS DataBase List--->109-42-2

109-42-2

109-42-2 Structure

109-42-2 Structure
IdentificationBack Directory
[Name]

BUTYL UNDECYLENATE
[CAS]

109-42-2
[Synonyms]

FEMA 2216
butylundec-10
BUTYL UNDECYLENATE
BUTYL UNDECYLENOATE
N-BUTYL UNDECYLENATE
BUTYL 10-UNDECENOATE
butyl10-undecylenate
butylundec-10-enoate
Butyl 10-undecylenate
n-Butyl 10-undecenoate
BUTYL 10-UNDECENOATE 98+%
NATURAL BUTYL UNDECYLENATE
Butyl undecylenate≥ 98% (GC)
undec-10-enoicacidbutylester
10-Undecenoicacid,butylester
[EINECS(EC#)]

203-670-4
[Molecular Formula]

C15H28O2
[MDL Number]

MFCD00048776
[MOL File]

109-42-2.mol
[Molecular Weight]

240.38
Chemical PropertiesBack Directory
[Melting point ]

1.3°C (estimate)
[Boiling point ]

249-254 °C756 mm Hg(lit.)
[density ]

0.87 g/mL at 25 °C(lit.)
[FEMA ]

2216 | BUTYL 10-UNDECENOATE
[refractive index ]

n20/D 1.4413(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[Odor]

at 100.00 %. fatty butter wine floral fruity
[biological source]

synthetic
[Odor Type]

fatty
[JECFA Number]

344
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3
[InChIKey]

GRAORJFMGCQWRN-UHFFFAOYSA-N
[SMILES]

CCCCOC(=O)CCCCCCCCC=C
[LogP]

6.04
[EPA Substance Registry System]

10-Undecenoic acid, butyl ester (109-42-2)
Safety DataBack Directory
[WGK Germany ]

2
[RTECS ]

YQ2978000
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
[Safety Profile]

Mildly toxic by ingestion. A slam irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
[Toxicity]

rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 17, Pg. 729, 1979.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Butanol-->Undecenoic acid
Hazard InformationBack Directory
[Chemical Properties]

Butyl 10-undecenoate has a slightly fatty, buttery, wine-like, unpleasant odor.
[Uses]

flavors and fragrances
[Definition]

ChEBI: Butyl undecylenate is a fatty acid ester.
[Preparation]

By esterification of the acid with n-butyl alcohol at the boiling point in the presence of concentrated H2SO4 or in benzene solution.
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