Benzenebutanoic acid,4-(1-methylethyl)-g-oxo-

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Names

[ CAS No. ]:
6947-81-5

[ Name ]:
Benzenebutanoic acid,4-(1-methylethyl)-g-oxo-

[Synonym ]:
4-Oxo-4-p-cumenyl-buttersaeure
CB 830

Chemical & Physical Properties

[ Density]:
1.108g/cm3

[ Boiling Point ]:
400.1ºC at 760 mmHg

[ Molecular Formula ]:
C13H16O3

[ Molecular Weight ]:
220.26400

[ Flash Point ]:
209.9ºC

[ Exact Mass ]:
220.11000

[ PSA ]:
54.37000

[ LogP ]:
2.85750

[ Index of Refraction ]:
1.529

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY9053150
CHEMICAL NAME :
Benzenebutanoic acid, 4-(1-methylethyl)-gamma-oxo-
CAS REGISTRY NUMBER :
6947-81-5
BEILSTEIN REFERENCE NO. :
3032364
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H16-O3
MOLECULAR WEIGHT :
220.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,1360,1974

Safety Information

[ HS Code ]:
2918300090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2918300090

[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Related Compounds

  • BENZENEBUTANOIC ACID, 4-METHOXY-3-METHYL-G-(1-METHYLETHYL)
  • Benzenebutanoic acid,4-chloro-g-oxo-a-phenyl-, methyl ester
  • Benzenebutanoic acid,4-amino-g-oxo-
  • Benzenebutanoic acid,4-nitro-g-oxo-
  • Benzenebutanoic acid,4-(acetylamino)-g-oxo-
  • Benzenebutanoic acid,4-methyl-g-oxo-, ethyl ester
  • 4-Methyl-2-phenylmethoxycyclohexan-1-one
  • (2R,4R)-2-(2,5-difluorophenyl)-4-fluoro-pyrrolidine
  • N-[N-[Tert-butyl(dimethyl)silyl]-S-imidazol-1-ylsulfonimidoyl]-N-methylmethanamine
  • 1,2-Diazaspiro[2.3]hex-1-en-5-amine hydrochloride
  • tert-Butyl 6-(aminomethyl)-6-phenyl-2-azaspiro[3.3]heptane-2-carboxylate hydrochloride
  • 1,2-Diazaspiro[2.3]hex-1-en-5-amine
  • (3R,4S)-4-Bromo-N,N-dimethyloxolan-3-amine
  • 2-(Azetidin-3-yl)-1-methylimidazole;dihydrochloride
  • 3-Cyanopyrazine-2-sulfonyl fluoride
  • N-Methyl-N-(morpholin-4-ylsulfonimidoyl)methanamine;hydrochloride
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