Propanoic acid,2-methyl-, 3-phenylpropyl ester

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Names

[ CAS No. ]:
103-58-2

[ Name ]:
Propanoic acid,2-methyl-, 3-phenylpropyl ester

[Synonym ]:
Isobutyric Acid 3-Phenylpropyl Ester
MFCD00082227
3-PHENYLPROPYL ISOBUTYRATE
3-phenylpropyl 2-methylpropanoate
EINECS 203-125-0

Chemical & Physical Properties

[ Density]:
0.979 g/mL at 25ºC(lit.)

[ Boiling Point ]:
291.6ºC at 760 mmHg

[ Melting Point ]:
-60ºC

[ Molecular Formula ]:
C13H18O2

[ Molecular Weight ]:
206.28100

[ Flash Point ]:
114.5ºC

[ Exact Mass ]:
206.13100

[ PSA ]:
26.30000

[ LogP ]:
2.81840

[ Vapour Pressure ]:
0.00193mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.486(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NQ5440000
CHEMICAL NAME :
Isobutyric acid, 3-phenylpropyl ester
CAS REGISTRY NUMBER :
103-58-2
BEILSTEIN REFERENCE NO. :
2454387
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C13-H18-O2
MOLECULAR WEIGHT :
206.31
WISWESSER LINE NOTATION :
1Y1&VO3R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,851,1978

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
NQ5440000

[ HS Code ]:
2915900090

Precursor & DownStream

Precursor

DownStream

  • 3-Phenylpropan-1-ol
  • 1-Phenyl-3-(triethylsiloxy)propane

Customs

[ HS Code ]: 2915900090

[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Related Compounds

  • 3-phenylpropyl 2-bromo-2-methylpropanoate
  • papaya isobutyrate
  • (2-methyl-3-phenylpropyl) prop-2-enoate
  • (2-methyl-3-phenylpropyl) butanoate
  • Propanoic acid, 2-Methyl-, 3-fluorophenyl ester
  • Propanoic acid, 2-Methyl-, 3-chlorophenyl ester
  • Tert-butyl 2-(pyrrolidin-2-yl)pyrrolidine-1-carboxylate
  • 1-{imidazo[1,2-a]pyridin-2-ylmethyl}-1H-pyrazol-3-amine
  • 5,6-Dimethyl-3-(piperazin-1-YL)pyridazine-4-carbonitrile
  • 2-(3,4-Dichlorophenyl)-2-{[2-(dimethylamino)ethyl]amino}acetic acid
  • Methyl 2-(3,4-dichlorophenyl)-2-{[2-(dimethylamino)ethyl]amino}acetate
  • 3-(4-aminophenoxy)-N,N-dimethylpropanamide
  • 6-(Difluoromethoxy)-3,4-dihydronaphthalene-2-sulfonyl chloride
  • (4-Difluoromethanesulfonylphenyl)methyl acetate
  • 13-Oxo-12-oxa-2,3,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7-tetraene-5-carboxamide
  • 2-(4-Bromo-2-hydroxyphenyl)-2-oxoacetic acid
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