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ChemicalBook--->CAS DataBase List--->16491-36-4

16491-36-4

16491-36-4 Structure

16491-36-4 Structure
IdentificationMore
[Name]

CIS-3-HEXENYL BUTYRATE
[CAS]

16491-36-4
[Synonyms]

BETA, GAMMA-HEXENYL N-BUTYRATE
C3 HEXENYL BUTYRATE
CIS-3-HEXEN-1-YL N-BUTYRATE
CIS-3-HEXENYL BUTYRATE
FEMA 3402
HEX-3-ENYL BUTYRATE
HEXENYL-CIS-3-BUTYRATE
N-BUTYRIC ACID CIS-3-HEXEN-1-YL ESTER
(Z)-3-HEXENYL BUTYRATE
(3Z)-3-Hexenyl butyrate
(Z)-3-Hexen-1-ol, butanoate
(Z)-3-Hexen-1-yl butanoate
(Z)-3-hexenyl butanoate
(Z)-Hex-3-enyl butanoate
3(Z)-hexenyl butanoate
3-hexenylbutyrate
3-hexenylester,(z)-butanoicaci
3-hexenylester,(Z)-Butanoicacid
Butanoic acid, (Z)-3-hexenyl ester
Butanoic acid, 3-hexenyl ester, (Z)-
[EINECS(EC#)]

240-553-7
[Molecular Formula]

C10H18O2
[MDL Number]

MFCD00036540
[Molecular Weight]

170.25
[MOL File]

16491-36-4.mol
Chemical PropertiesBack Directory
[Boiling point ]

96 °C20 mm Hg(lit.)
[density ]

0.885 g/mL at 25 °C(lit.)
[FEMA ]

3402
[refractive index ]

n20/D 1.431(lit.)
[Fp ]

174 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[Specific Gravity]

0.885
[Odor]

at 100.00 %. fresh green apple fruity wine metallic buttery
[Odor Type]

green
[JECFA Number]

157
[InChIKey]

ZCHOPXVYTWUHDS-WAYWQWQTSA-N
[LogP]

3.48
[CAS DataBase Reference]

16491-36-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanoic acid, 3-hexenyl ester, (z)-(16491-36-4)
[EPA Substance Registry System]

16491-36-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[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:Wear suitable protective clothing .
[WGK Germany ]

2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Butyric Acid-->Leaf alcohol-->cis-3-hexene-->Ethyl butyrate
Hazard InformationBack Directory
[Description]

cis-3-Hexenyl butyrate has a green, fruity, somewhat buttery aroma. May be synthesized by esterification of cis-3-hexenol with n-butyric acid under azeotropic conditions.
[Chemical Properties]

cis-3-Hexenyl butyrate has a green, fruity, somewhat buttery aroma.
[Chemical Properties]

Colorless to pale yellow liquid
[Occurrence]

Reported found in passion fruit, apricot, orange and lemon peel oil, apple, Concord grape, guava, strawberry, tea, plum, plumcot, starfruit, mango, coriander, quince, lovage, nectarine and spineless monkey orange.
[Definition]

ChEBI: Cis-3-hexenyl butyrate is a fatty acid ester.
[Preparation]

By esterification of cis-3-hexenol with n-butyric acid under azeotropic conditions.
[Aroma threshold values]

At 20 ppm: green, waxy, fruity and sweet with a berry and tropical nuance
[Taste threshold values]

Taste characteristics at 20 ppm: green, fruity, leafy with a fresh apple and pear nuance
Questions And AnswerBack Directory
[Aroma]

Powerful, fruity-winey, green, Cognac-like or Brandy-like, slightly buttery-oily odor. Wincy-buttery, sweet-green and slightly fruity taste in dilutions below 5 ppm.
[Uses in Perfume]

Cis-3-hexenyl butyrate has been suggested for use in perfume compositions as a modifier for the Acetate and other esters. As a green topnote material, it blends better with certain floral fragrance types, e. g. Jasmin and Ylartg-Ylang while it also gives interesting effects with strictly herbaceous odor types, where wincygrccn notes can support Clary Sage or other sweet-herbaceous, ot tea-like notes.
Spectrum DetailBack Directory
[Spectrum Detail]

CIS-3-HEXENYL BUTYRATE(16491-36-4)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

16491-36-4(sigmaaldrich)
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