3-methyl-3-phenylbutanoic acid
Names
[ CAS No. ]:
1010-48-6
[ Name ]:
3-methyl-3-phenylbutanoic acid
[Synonym ]:
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
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
Precursor & DownStream
Precursor
DownStream
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%