Isobutyl benzoate
Names
[ CAS No. ]:
120-50-3
[ Name ]:
Isobutyl benzoate
[Synonym ]:
Benzoic Acid Isobutyl Ester
Benzoic acid, 2-methylpropyl ester
MFCD00048344
2-methylpropyl benzoate
Isobutyl benzoate
EINECS 204-401-3
Chemical & Physical Properties
[ Density]:
1.0±0.1 g/cm3
[ Boiling Point ]:
241.1±8.0 °C at 760 mmHg
[ Molecular Formula ]:
C11H14O2
[ Molecular Weight ]:
178.228
[ Flash Point ]:
101.4±6.0 °C
[ Exact Mass ]:
178.099380
[ PSA ]:
26.30000
[ LogP ]:
3.61
[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C
[ Index of Refraction ]:
1.497
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DH4185000
- CHEMICAL NAME :
- Benzoic acid, 2-methylpropyl ester
- CAS REGISTRY NUMBER :
- 120-50-3
- BEILSTEIN REFERENCE NO. :
- 2045961
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C11-H14-O2
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (4),40,1994
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (4),40,1994
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;Gloves
[ Safety Phrases ]:
S24/25
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
2
[ RTECS ]:
DH4185000
[ HS Code ]:
4002191900
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%
Articles
Phys. Chem. Chem. Phys. 13(34) , 15523-9, (2011)
Interfacial tension, electrical conductivity, NMR self-diffusion and DLS experiments have been used to investigate the self-aggregation in water of ionic liquids associating an ibuprofenate anion and ...
[Rationale for maximum allowable concentration of isobutyl benzoate in atmospheric air of populated areas].Gig. Sanit. (2) , 15-6, (1994)