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

Click to get detail 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

Click to get detail 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%

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