prenyl benzoate

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Names

[ CAS No. ]:
5205-11-8

[ Name ]:
prenyl benzoate

[Synonym ]:
Benzoic Acid 3-Methyl-2-butenyl Ester
Prenyl Benzoate
3-methylbut-2-enyl benzoate
EINECS 225-998-7
Benzoic Acid Prenyl Ester

Chemical & Physical Properties

[ Density]:
1.018g/cm3

[ Boiling Point ]:
280.1ºC at 760mmHg

[ Molecular Formula ]:
C12H14O2

[ Molecular Weight ]:
190.23800

[ Flash Point ]:
125.1ºC

[ Exact Mass ]:
190.09900

[ PSA ]:
26.30000

[ LogP ]:
2.80960

[ Index of Refraction ]:
1.516

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM9473900
CHEMICAL NAME :
2-Buten-1-ol, 3-methyl-, benzoate
CAS REGISTRY NUMBER :
5205-11-8
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C12-H14-O2
MOLECULAR WEIGHT :
190.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,819,1982 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4700 mg/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: 20,819,1982
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: 20,819,1982

Safety Information

[ RTECS ]:
EM9473900

[ HS Code ]:
2916310090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzoyl chloride
  • 3-Methyl-2-buten-1-ol
  • Benzoic anhydride
  • 4-benzoyloxymethyl-2,2-dichloro-3,3-dimethylcyclobutanone
  • (2-METHOXYVINYL)BENZENE
  • Oxirane,2-(trimethylsilyl)-
  • propan-2-ylsulfonylbenzene

DownStream

  • BENZOYLOXY ACETALDEHYDE DIETHYL ACETAL
  • benzoic acid,(3,3-dimethyloxiran-2-yl)methanol
  • dimethyl-(3-methylbut-2-enyl)-phenylsilane
  • benzoic acid

Customs

[ HS Code ]: 2916310090

[ Summary ]:
2916310090 other benzoic acid and its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

Related Compounds

  • prenyl senecioate
  • prenyl butyrate
  • prenyl heptanoate
  • prenyl hexanoate
  • prenyl isobutyrate
  • Ethyl benzoate
  • [(2,3-dihydro-1,4-benzodioxin-6-yl)methyl](methyl)[(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)methyl]amine
  • N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide
  • 4-[(5-Cyclopropyl-1,2-oxazol-3-yl)methyl]-2-(morpholine-4-carbonyl)morpholine
  • 2-[4-(3-methanesulfonylpyridin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
  • N-methyl-N-{1-[6-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}pyridin-2-amine
  • N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N,2-dimethylpyrimidin-4-amine
  • N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N,6-dimethylpyrimidin-4-amine
  • N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N,6-dimethylpyrazin-2-amine
  • N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide
  • N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide
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