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

Modify Date: 2024-01-28 16:02:20

Benzenebutanoic acid,4-(1-methylethyl)-g-oxo- Structure
Benzenebutanoic acid,4-(1-methylethyl)-g-oxo- structure
Common Name Benzenebutanoic acid,4-(1-methylethyl)-g-oxo-
CAS Number 6947-81-5 Molecular Weight 220.26400
Density 1.108g/cm3 Boiling Point 400.1ºC at 760 mmHg
Molecular Formula C13H16O3 Melting Point N/A
MSDS N/A Flash Point 209.9ºC

 Names

Name 4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
Synonym More Synonyms

 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

~%

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

Benzenebutanoic...

CAS#:6947-81-5

Literature: Smith; Lo Journal of the American Chemical Society, 1948 , vol. 70, p. 2209,2212 Show Details Reppe et al. Justus Liebigs Annalen der Chemie, 1955 , vol. 596, p. 1,222 Show Details Barnett; Sanders Journal of the Chemical Society, 1933 , p. 434,436

~%

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

Benzenebutanoic...

CAS#:6947-81-5

Literature: Papa; Schwenk; Hankin Journal of the American Chemical Society, 1947 , vol. 69, p. 3018,3021

 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%

 Synonyms

4-Oxo-4-p-cumenyl-buttersaeure
CB 830