| Identification | More | [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 Properties | Back 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 | [Appearance]
Colorless to light yellow Liquid | [Odor]
at 100.00 %. fresh green apple fruity wine metallic buttery | [biological source]
synthetic | [Odor Type]
green | [JECFA Number]
157 | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5- | [InChIKey]
ZCHOPXVYTWUHDS-WAYWQWQTSA-N | [SMILES]
[H]\C(CC)=C(/[H])CCOC(=O)CCC | [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 Data | Back 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
| [TSCA ]
TSCA listed | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back 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 Answer | Back 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. |
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