(2E)-3-Phenyl-2-propen-1-yl 3-methylbutanoate

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Names

[ CAS No. ]:
140-27-2

[ Name ]:
(2E)-3-Phenyl-2-propen-1-yl 3-methylbutanoate

[Synonym ]:
(2E)-3-Phenyl-2-propen-1-yl 3-methylbutanoate
cinnamyl 3-methylbutanoate
EINECS 205-407-9
Butanoic acid, 3-methyl-, (2E)-3-phenyl-2-propen-1-yl ester
Isovaleric Acid Cinnamyl Ester
(2E)-3-Phenylprop-2-en-1-yl 3-methylbutanoate

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
323.0±21.0 °C at 760 mmHg

[ Molecular Formula ]:
C14H18O2

[ Molecular Weight ]:
218.292

[ Flash Point ]:
128.3±20.4 °C

[ Exact Mass ]:
218.130676

[ PSA ]:
26.30000

[ LogP ]:
4.03

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.531

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK7902515
CHEMICAL NAME :
Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester
CAS REGISTRY NUMBER :
140-27-2
BEILSTEIN REFERENCE NO. :
3201227
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C14-H18-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
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 :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,857,1974
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 :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,857,1974

Safety Information

[ WGK Germany ]:
2

[ RTECS ]:
EK7902515

[ HS Code ]:
2942000000

Synthetic Route

Precursor & DownStream

Precursor

  • Cinnamyl alcohol
  • 3-Methylbutanoyl chloride
  • 3-Methylbutanoic acid
  • L-Valine
  • (S)-(-)-2-Bromo-3-methylbutyric acid

DownStream

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

  • (2E)-3-Phenyl-2-propen-1-yl formate
  • 3-phenylallyl 2-methylbutyrate
  • 2-[(2E)-3-phenyl-2-propen-1-yl]thiophene
  • 3-[(2E)-3-Phenyl-2-propen-1-yl]-1H-pyrrolo[2,3-c]pyridine
  • 2-{[(2E)-3-Phenyl-2-propen-1-yl]sulfanyl}aniline
  • Diethyl [(2E)-3-phenyl-2-propen-1-yl](1-propyn-1-yl)malonate