ChemicalBook--->CAS DataBase List--->53398-83-7

53398-83-7

53398-83-7 Structure

53398-83-7 Structure
IdentificationMore
[Name]

TRANS-2-HEXENYL BUTYRATE
[CAS]

53398-83-7
[Synonyms]

Ai3-35967
FEMA 3926
Einecs 258-515-3
2E-Hexenylbutyrate
HEX-2-ENYL BUTYRATE
(E)-Hex-2-enylbutyrat
HEXENYLBUTYRAT TRANS-2
(E)-2-hexenyl butyrate
(2E)-2-Hexenyl butyrate
(E)-2-hexenyl butanoate
(E)-hex-2-enyl butyrate
TRANS-2-HEXENYL BUTYRATE
(2E)-Hexen-1-yl butyrate
(E)-2-hexen-1-yl butyrate
trans-2-Hexenyl butanoate
trans-2-Hexenyl n-butyrate
(E)-2-Hexene-1-ol butyrate
[(E)-hex-2-enyl] butanoate
trans-2-Hexen-1-yl butyrate
trans-3-Hexen-1-yl butyrate
trans-2-Hexenyl Butyrate >
TRANS-2-HEXEN-1-YL N-BUTYRATE
2-hexenylester,(e)-butanoicaci
TRANS-2-HEXENYL BUTYRATE 96+%
trans-2-Hexenyl Butyrate
Butyric acid (E)-2-hexenyl ester
Butanoic acid (E)-2-hexenyl ester
Butyric Acid trans-2-Hexenyl Ester
TRANS-2-HEXENYL BUTYRATE USP/EP/BP
Butanoic acid, (2E)-2-hexenyl ester
Butyric acid (E)-2-hexen-1-yl ester
Butanoic acid, 2-hexenyl ester, (E)-
Butanoic acid, (2E)-2-hexen-1-yl ester
N-BUTYRIC ACID TRANS-2-HEXEN-1-YL ESTER
N-BUTYRIC ACID TRANS-2-HEXEN-1-YL ESTER 95+%
[EINECS(EC#)]

258-515-3
[Molecular Formula]

C10H18O2
[MDL Number]

MFCD00036546
[Molecular Weight]

170.25
[MOL File]

53398-83-7.mol
Chemical PropertiesBack Directory
[Boiling point ]

190 °C(lit.)
[density ]

0.885 g/mL at 25 °C(lit.)
[FEMA ]

3926
[refractive index ]

n20/D 1.4325(lit.)
[Fp ]

186 °F
[solubility ]

Insoluble in water, soluble in alcohol and oils.
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. green fruity apricot ripe banana cortex orchid fermented
[biological source]

synthetic
[Odor Type]

green
[JECFA Number]

1375
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
[InChIKey]

PCGACKLJNBBQGM-VOTSOKGWSA-N
[SMILES]

[H]\C(CCC)=C(\[H])COC(=O)CCC
[LogP]

3.64
[CAS DataBase Reference]

53398-83-7(CAS DataBase Reference)
[EPA Substance Registry System]

(E)-2-Hexenyl butyrate (53398-83-7)
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
[TSCA ]

TSCA listed
[HS Code ]

29156000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

(E)-2-Hexenyl butyrate has a green, fruity odor.
[Occurrence]

Reported found in high bush cranberry,strawberry, chicken fat, black tea, fresh plum, lovage root and chermoya fruit
[Uses]

trans-2-Hexenyl butyrate is a sex pheromone.
[Application]

Trans-2-Hexenyl butyrate, not a very commonly used member of the series, could find some use in perfume compositions and artificial essential oils. It is most conceivable, however, that the material will find more interest in the flavour laboratory. As a trace in the component of various fruit compositions, it could lend interesting and natural notes to Apricots, Apples, Pineapples, and Plums and to various Cognac or Brandy flavour compositions. The concentration used would normally be about 0.5 to 2 ppm, calculated upon the finished product.
[Definition]

ChEBI: (E)-2-Hexenyl butyrate is a fatty acid ester.
[Production Methods]

Trans-2-Hexenyl butyrate is produced by the esterification of trans-2-Hexenol with n-Butync acid under azeotropic conditions.
[Aroma threshold values]

Aroma characteristics at 1.0%: green, ripe fruity with apple and fermented banana notes and a fatty nuance, becoming green grassy on dryout
[Taste threshold values]

Taste characteristics at 1 to 10 ppm: green, oily, fresh fruity with a full mouthfeel
[Biological Activity]

Odor at 1%''Taste at 1-10 ppm
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-2-HEXENYL BUTYRATE(53398-83-7)MS
TRANS-2-HEXENYL BUTYRATE(53398-83-7)1HNMR
TRANS-2-HEXENYL BUTYRATE(53398-83-7)13CNMR
TRANS-2-HEXENYL BUTYRATE(53398-83-7)IR1
TRANS-2-HEXENYL BUTYRATE(53398-83-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

53398-83-7(sigmaaldrich)
[TCI AMERICA]

trans-2-Hexenyl Butyrate,>93.0%(GC)(53398-83-7)
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