ChemicalBook--->CAS DataBase List--->68698-59-9

68698-59-9

68698-59-9 Structure

68698-59-9 Structure
IdentificationBack Directory
[Name]

TRANS-2-HEXENYL ISOVALERATE
[CAS]

68698-59-9
[Synonyms]

FEMA 3930
(E)-Hex-2-enylisovalerat
(E)-2-Hexenyl=isovalerate
Isovalericacidhexenylester
(E)-hex-2-enyl isovalerate
TRANS-2-HEXENYL ISOVALERATE
2-Hexenyl 3-methylbutanoate
(E)-2-hexen-1-yl isovalerate
trans-2-HexenylIsovalerate>
[(E)-hex-2-enyl] 3-methylbutanoate
(E)-2-Hexene-1-ol 3-methylbutyrate
trans-2-Hexenyl Isovalerate
Isovaleric acid (E)-2-hexenyl ester
ISOVALERIC ACID TRANS-2-HEXENYL ESTER
3-methyl-,2-hexenylester,(e)-butanoicaci
ISOVALERIC ACID TRANS-2-HEXEN-1-YL ESTER
BUTANOICACID,3-METHYL-,2-HEXENYLESTER,(E)-
ISOVALERIC ACID TRANS-2-HEXEN-1-YL ESTER 90+%
Butanoic acid, 3-methyl-, (2E)-2-hexenyl ester
Butanoic acid, 3-methyl-, (2E)-2-hexen-1-yl ester
[EINECS(EC#)]

272-088-0
[Molecular Formula]

C11H20O2
[MDL Number]

MFCD00036544
[MOL File]

68698-59-9.mol
[Molecular Weight]

184.28
Chemical PropertiesBack Directory
[Boiling point ]

231.5±9.0 °C(Predicted)
[density ]

0.87
[FEMA ]

3930 | TRANS-2-HEXENYL ISOVALERATE
[refractive index ]

1.4300-1.4340
[Odor]

at 10.00 % in dipropylene glycol. green waxy apple pear banana grape
[Odor Type]

green
[JECFA Number]

1377
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
[InChIKey]

SAVRWHQEMHIAEB-VOTSOKGWSA-N
[SMILES]

C(OC/C=C/CCC)(=O)CC(C)C
[LogP]

3.99
[EPA Substance Registry System]

(E)-2-Hexenyl isovalerate (68698-59-9)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Chemical Properties]

(E)-2-Hexenyl isovalerate has a fruity, buttery odor.
[Occurrence]

Reported found in lamb’s lettuce
[Uses]

flavors and fragrances
[Definition]

ChEBI: 2-hexenyl isovalerate is a fatty ester resulting from the formal condensation of the carboxy group of isovaleric acid with the hydroxy group of 2-hexen-1-ol. It has a role as a volatile oil component. It is functionally related to an isovaleric acid and a 2-hexen-1-ol.
[Aroma threshold values]

Aroma characteristics at 1.0%: green, fresh waxy apple, pear and banana-like with nuances of viney fusel grape and vegetables.
[Taste threshold values]

Taste characteristics at 1 to 5 ppm: green apple, fruity with an oily waxy nuance and a lingering fruity aftertaste.
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