Isopropyl Benzoate

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Names

[ CAS No. ]:
939-48-0

[ Name ]:
Isopropyl Benzoate

[Synonym ]:
propan-2-yl benzoate
EINECS 213-361-6
MFCD00048289

Chemical & Physical Properties

[ Density]:
1,01 g/cm3

[ Boiling Point ]:
218°C

[ Melting Point ]:
-26.4ºC

[ Molecular Formula ]:
C10H12O2

[ Molecular Weight ]:
164.20100

[ Flash Point ]:
102°C

[ Exact Mass ]:
164.08400

[ PSA ]:
26.30000

[ LogP ]:
2.25180

[ Index of Refraction ]:
1.499

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH3150000
CHEMICAL NAME :
Benzoic acid, isopropyl ester
CAS REGISTRY NUMBER :
939-48-0
BEILSTEIN REFERENCE NO. :
2044384
LAST UPDATED :
199806
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H12-O2
MOLECULAR WEIGHT :
164.22
WISWESSER LINE NOTATION :
1Y1&OVR

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 :
3730 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
20 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951

Safety Information

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
22

[ RTECS ]:
DH3150000

[ HS Code ]:
2916310090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Isopropyl ether
  • Benzoyl chloride
  • MONOISOPROPYLPHTHALATE
  • Isopropanol
  • benzoic acid
  • 2-benzoyl-4,5-dichloro-pyridazin-3-one
  • Ethanone,2,2,2-trichloro-1-phenyl-
  • Benzaldehyde
  • Iodobenzene
  • carbon monoxide

DownStream

  • 4-Fluorobenzaldehyde
  • Benzaldehyde
  • Methanone,(2,5-dimethylphenyl)phenyl-
  • 2-Propyn-1-one, 1,3-diphenyl-
  • benzyl benzoate
  • Acetone
  • α-Cumyl alcohol
  • 1,3-Diphenylpropane-1,3-dione
  • Isopropanol
  • benzoic acid

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%

Related Compounds

  • Isopropyl benzoate radical anion
  • methyl 2-hydroxy-4-isopropyl benzoate
  • Sodium; 4-isopropyl-benzoate
  • methyl 3-methylsulfonyl-4-propan-2-ylbenzoate
  • isopropyl (2-isopropylthio)benzoate
  • Isopropyl 4-(chloromethyl)benzoate
  • N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-2-(p-tolyloxy)acetamide
  • N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-2-(2-fluorophenoxy)acetamide
  • N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-2-phenylacetamide
  • N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-2-(4-fluorophenyl)acetamide
  • 2-([1,1'-biphenyl]-4-yl)-N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)acetamide
  • N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-2-(thiophen-2-yl)acetamide
  • 3-(2-chlorophenyl)-N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-5-methylisoxazole-4-carboxamide
  • N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
  • 1-(4-chlorophenyl)-N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-5-oxopyrrolidine-3-carboxamide
  • N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
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