ChemicalBook--->CAS DataBase List--->35154-45-1

35154-45-1

35154-45-1 Structure

35154-45-1 Structure
IdentificationMore
[Name]

FEMA 3498
[CAS]

35154-45-1
[Synonyms]

3-HEXENYL 3-METHYLBUTANOATE
BUTANOIC ACID, 3-METHYL-,3-HEXENYL ESTER, (Z)-
C3 HEXENYL ISOVALERATE
CIS-3-HEXENYL 3-ISOVALERATE
CIS-3-HEXENYL-3-METHYLBUTANOATE
CIS-3-HEXENYL ISOVALERATE
FEMA 3498
HEXENYL-CIS-3-ISO-VALERATE
ISOVALERIC ACID CIS-3-HEXEN-1-YL ESTER
ISOVALERIC ACID CIS-3-HEXENYL ESTER
(Z)-3-HEXENYL ISOVALERATE
(3Z)-3-Hexenyl 3-methylbutanoate
(Z)-3-hexenyl 3-methylbutanoate
3-hexenylester,(z)-isovalericaci
3-methyl-,3-hexenylester,(z)-butanoicaci
3-methyl-,3-hexenylester,(Z)-Butanoicacid
AI3-35966
Isovaleric acid, 3-hexenyl ester, (Z)-
(Z)-hex-3-enyl isovalerate
cis-3-Hexenyl i-valerate
[EINECS(EC#)]

252-404-3
[Molecular Formula]

C11H20O2
[MDL Number]

MFCD00036533
[Molecular Weight]

184.28
[MOL File]

35154-45-1.mol
Chemical PropertiesBack Directory
[Melting point ]

13.63°C (estimate)
[Boiling point ]

98 °C15 mm Hg(lit.)
[density ]

0.874 g/mL at 25 °C(lit.)
[FEMA ]

3498
[refractive index ]

n20/D 1.432(lit.)
[Fp ]

140 °F
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 10.00 % in dipropylene glycol. fresh green apple fruity tropical pineapple
[biological source]

synthetic
[Odor Type]

green
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-
[InChIKey]

AIQLNKITFBJPFO-WAYWQWQTSA-N
[SMILES]

CC\C=C/CCOC(=O)CC(C)C
[LogP]

3.83
[CAS DataBase Reference]

35154-45-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Cis-3-hexenyl isovalerate(35154-45-1)
[EPA Substance Registry System]

35154-45-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P233-P240-P241-P242-P243
[Hazard Codes ]

N
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 3272 3/PG 3
[WGK Germany ]

2
[RTECS ]

NY1505000
[TSCA ]

TSCA listed
[HazardClass ]

3
[HS Code ]

29156000
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Hazard InformationBack Directory
[Chemical Properties]

cis-3-Hexenyl isovalerate has a powerful, sweet, green odor of apple and buttery, apple-like taste
[Occurrence]

Reported found in tabasco pepper, bell pepper and other capsicum varieties, corn mint, spearmint, peppermint and other mentha oils, black tea, elder flower, cherimoya, sage, nectarine, lamb’s lettuce and sea buckthorn (Hippophae rhamnoides L.).
[Uses]

This ester Cis-3-hexenyl Isovalerate finds some use in flavor compositions as a power ingredient and modifier in Applc, Pear, Pineapple, Plum, etc. where it helps introduce natural freshness in balance with possible overly sweet notes from conventional flavor chemicals.
[Definition]

ChEBI: Cis-3-hexenyl isovalerate is a 3-hexenyl isovalerate in which the double bond adopts cis-configuration. It has a role as an insect attractant and a volatile oil component.
[Preparation]

By esterification of cis-3-hexenol with isovaleric acid.
[Aroma threshold values]

Aroma characteristics at 1.0%: grassy green, waxy, estry fruity, sweet woody floral pear, tropical banana, fleshy grape notes with a slightly vegetative nuance.
[Taste threshold values]

Taste characteristics at 1.0 ppm: green, waxy, fruity apple, pineapple, pear with woody and walnut nuances
Spectrum DetailBack Directory
[Spectrum Detail]

FEMA 3498(35154-45-1)MS
FEMA 3498(35154-45-1)1HNMR
FEMA 3498(35154-45-1)13CNMR
FEMA 3498(35154-45-1)IR1
FEMA 3498(35154-45-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

35154-45-1(sigmaaldrich)
[TCI AMERICA]

Isovaleric Acid cis-3-Hexenyl Ester,>98.0%(GC)(35154-45-1)
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