ChemicalBook--->CAS DataBase List--->31501-11-8

31501-11-8

31501-11-8 Structure

31501-11-8 Structure
IdentificationMore
[Name]

FEMA 3403
[CAS]

31501-11-8
[Synonyms]

C3 HEXENYL CAPROATE
C3 HEXENYL HEXANOATE
CIS-3-HEXEN-1-YL N-HEXANOATE
CIS-3-HEXENYL CAPROATE
CIS-3-HEXENYL HEXANOATE
CIS-HEX-3-ENYL HEXANOATE
FEMA 3403
HEXENYL-CIS-3-CAPROATE
HEXENYL-CIS-3-HEXANOATE
N-CAPROIC ACID CIS-3-HEXEN-1-YL ESTER
N-CAPROIC ACID CIS-3-HEXNE-1-YL ESTER
N-HEXANOIC ACID CIS-3-HEXEN-1-YL ESTER
(Z)-3-HEXENYL CAPROATE
(Z)-3-HEXENYL HEXANOATE
(3Z)-3-Hexenyl hexanoate
(Z)-3-Hexen-1-ol, hexanoate
3-Hexen-1-ol hexanoate, cis
3-Hexenyl hexanoate, (Z)-
3-hexenylester,(z)-hexanoicaci
3-hexenylester,(Z)-Hexanoicacid
[EINECS(EC#)]

250-661-6
[Molecular Formula]

C12H22O2
[MDL Number]

MFCD00036552
[Molecular Weight]

198.3
[MOL File]

31501-11-8.mol
Chemical PropertiesBack Directory
[Melting point ]

17.88°C (estimate)
[Boiling point ]

115 °C15 mm Hg(lit.)
[density ]

0.88 g/mL at 25 °C(lit.)
[FEMA ]

3403
[refractive index ]

n20/D 1.473(lit.)
[Fp ]

220 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Specific Gravity]

0.880
[Odor]

at 100.00 %. fruity green waxy pear winey tropical grassy pineapple
[Odor Type]

green
[JECFA Number]

165
[LogP]

4.54
[CAS DataBase Reference]

31501-11-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Hexanoic acid, 3-hexenyl ester, (z)-(31501-11-8)
[EPA Substance Registry System]

31501-11-8(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
[RTECS ]

MO8380000
[HS Code ]

29159000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hexanoic acid-->1-Hexanol
Hazard InformationBack Directory
[Description]

cis-3-Hexenyl hexanoate has a powerful, diffusive fruity-green odor.1 It is reminiscent of pear. May be synthesized by azeotropic esterification of ds-3-hexanol with n-hexanoic acid.
[Chemical Properties]

cis-3-Hexenyl hexanoate has a powerful, diffusive fruity-green odor, reminiscent of pear.
[Occurrence]

Reported found among the high-boiling components in green tea; also as a component in the volatile fraction of tabasco pepper (Capsicum frutescens). Also reported found in orange peel oil, guava, corn mint oil, passion fruit and juice, plum, plumcot, starfruit, mango, quince, beli (Aegle marmelos Correa), babaco fruit (Carica pentagona Heilborn), nectarine and black choke berry
[Definition]

ChEBI: Cis-3-Hexenyl hexanoate is a fatty acid ester.
[Preparation]

By azeotropic esterification of cis-3-hexanol with n-hexanoic acid
[Taste threshold values]

Taste characteristics at 20 ppm: green, fruity, waxy and sweet with a berry and tropical nuance
Spectrum DetailBack Directory
[Spectrum Detail]

cis-3-Hexenyl hexanoate(31501-11-8)MS
cis-3-Hexenyl hexanoate(31501-11-8)1HNMR
cis-3-Hexenyl hexanoate(31501-11-8)13CNMR
cis-3-Hexenyl hexanoate(31501-11-8)IR1
cis-3-Hexenyl hexanoate(31501-11-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

31501-11-8(sigmaaldrich)
[TCI AMERICA]

cis-3-Hexen-1-yl Hexanoate,>98.0%(GC)(31501-11-8)
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