(3Z)-3-Hexen-1-yl hexanoate

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Names

[ CAS No. ]:
31501-11-8

[ Name ]:
(3Z)-3-Hexen-1-yl hexanoate

[Synonym ]:
Hexanoic acid, (3Z)-3-hexen-1-yl ester
3-hexenylbutyrate
Cis-Hex-3-Enyl Hexanoate
cis-3-Hexen-1-yl Hexanoate
MFCD00036552
Hexanoic Acid cis-3-Hexen-1-yl Ester
Leaf butyrate
C3 HEXENYL BUTYRATE
HEXENYL-CIS-3-BUTYRATE
cis-3-hexenyl n-butyrate
(3Z)-3-Hexen-1-yl hexanoate
cis-3-hexene-1-ol n-butyrate
HEX-3-ENYL BUTYRATE
EINECS 250-661-6
cis-3-hexenyl butanoate
(3Z)-Hex-3-en-1-yl hexanoate
cis-3-hexenyl hexanoate

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
256.2±19.0 °C at 760 mmHg

[ Molecular Formula ]:
C12H22O2

[ Molecular Weight ]:
198.30

[ Flash Point ]:
86.7±19.9 °C

[ Exact Mass ]:
198.161987

[ PSA ]:
26.30000

[ LogP ]:
4.54

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.444

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MO8380000
CHEMICAL NAME :
Hexanoic acid, 3-hexenyl ester, (Z)-
CAS REGISTRY NUMBER :
31501-11-8
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C12-H22-O2
MOLECULAR WEIGHT :
198.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,45S,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,45S,1992

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
MO8380000

[ HS Code ]:
2915900090

Precursor & DownStream

Precursor

  • cis-3-Hexen-1-ol
  • 1-Hexanoic acid
  • n-Caproic acid n-butyl ester

DownStream

  • Hexyl hexanoate
  • n-Caproic acid n-butyl ester

Customs

[ HS Code ]: 2915900090

[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Related Compounds

  • (3Z)-3-Hexen-1-yl 2-nonynoate
  • (3Z)-3-Hexen-1-yl phenylacetate
  • (3Z)-3-Hexen-1-yl 3-methylbutanoate
  • (3Z)-3-Hexen-1-yl benzoate
  • (3Z)-3-Hexen-1-yl acetate
  • (3Z)-3-Hexen-1-yl formate
  • 3-(5-Chloro-2-fluorophenoxy)pyrrolidine
  • 2-Bromo-4-methyl-thiazole-5-carbonyl chloride
  • 3-Amino-3-(2-chloro-6-methoxyphenyl)propan-1-ol
  • 1-(2-Chloro-6-methoxyphenyl)-2-(methylamino)ethan-1-ol
  • 4,6-Dichloro-2-(fluoromethyl)pyrimidine
  • 1-bromo-5H,6H,7H,8H-imidazo[1,5-c]pyrimidin-5-one
  • 1-cyclopentyl-N-methylcyclopropan-1-amine
  • 1-(4-Ethoxy-6-methyl-2-pyridyl)piperazine hydrochloride
  • 4-(2-Bromo-4-methylphenyl)-1,3-oxazolidin-2-one
  • 1-(2-bromo-4-chlorophenyl)-4-fluoro-1H-pyrazole
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