3-methyl-3-phenylbutanoic acid

Modify Date: 2024-01-09 14:06:20

3-methyl-3-phenylbutanoic acid Structure
3-methyl-3-phenylbutanoic acid structure
Common Name 3-methyl-3-phenylbutanoic acid
CAS Number 1010-48-6 Molecular Weight 178.22800
Density 1.065g/cm3 Boiling Point 286.6ºC at 760mmHg
Molecular Formula C11H14O2 Melting Point 60°C
MSDS N/A Flash Point 183.8ºC

 Names

Name 3-methyl-3-phenylbutanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.065g/cm3
Boiling Point 286.6ºC at 760mmHg
Melting Point 60°C
Molecular Formula C11H14O2
Molecular Weight 178.22800
Flash Point 183.8ºC
Exact Mass 178.09900
PSA 37.30000
LogP 2.43890
Vapour Pressure 0.00122mmHg at 25°C
Index of Refraction 1.519

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MW5158800
CHEMICAL NAME :
Hydrocinnamic acid, beta,beta-dimethyl-
CAS REGISTRY NUMBER :
1010-48-6
BEILSTEIN REFERENCE NO. :
2088152
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-O2
MOLECULAR WEIGHT :
178.25
WISWESSER LINE NOTATION :
QV1X1&1&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1550 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 16,23,1961

 Safety Information

Hazard Codes Xi
HS Code 2916399090

 Synthetic Route

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

3,3-dimethyl-3-phenylpropionic acid
3-phenyl-3-methylbutanoic acid
3-Phenylisopentanoic acid
3-phenyl-3-methylbutyric acid
3-methyl-3-phenylbutyric acid
3-Methyl-3-phenyl-butanoic acid