Butanoic acid,3-methyl-, phenylmethyl ester

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Names

[ CAS No. ]:
103-38-8

[ Name ]:
Butanoic acid,3-methyl-, phenylmethyl ester

[Synonym ]:
benzyl 3-methylbutanoate
BENZYL ISOVALERATE
EINECS 203-106-7
MFCD00048348

Chemical & Physical Properties

[ Density]:
0.988 g/mL at 25 °C(lit.)

[ Boiling Point ]:
116 °C9 mm Hg(lit.)

[ Molecular Formula ]:
C12H16O2

[ Molecular Weight ]:
192.25400

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
192.11500

[ PSA ]:
26.30000

[ LogP ]:
2.77590

[ Vapour Pressure ]:
0.0294mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.488(lit.)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY1415000
CHEMICAL NAME :
Isovaleric acid, benzyl ester
CAS REGISTRY NUMBER :
103-38-8
BEILSTEIN REFERENCE NO. :
2503435
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C12-H16-O2
MOLECULAR WEIGHT :
192.28
WISWESSER LINE NOTATION :
1Y1&1VO1R

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: 12,829,1974 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,829,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,829,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5074 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
NY1415000

[ HS Code ]:
2915900090

Synthetic Route

Precursor & DownStream

Precursor

  • Ethyl isovalerate
  • Benzyl alcohol
  • 3-methyl-1-oxobutan-2-yl 4-nitrobenzoate
  • ISOVALERIC ANHYDRIDE
  • benzyl 2-hydrazono-3-methylbutanoate
  • Crotonic acid benzyl ester
  • 3-methyl-1-oxobutan-2-yl m-nitrobenzoate
  • 3-methylbutyroyl fluoride

DownStream

  • 3-Methylbutanoic acid

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

  • benzyl 3-methyl-2-oxobutanoate
  • Butanoicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, phenylmethyl ester, (2S)-
  • 3-Butenoic acid, 3-Methyl-, phenylMethyl ester
  • benzyl 3-methylquinoxaline-2-carboxylate
  • (R)-1-Cbz-3-methylpiperazine
  • Benzyl (3S)-3-methyl-1-piperazinecarboxylate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Chloro-9,10-anthracenedicarboxaldehyde
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • N-(1-acetylindolin-6-yl)-2-(thiophen-2-yl)acetamide
  • 4-bromo-N-(4-{[6-(1H-pyrazol-1-yl)pyridazin-3-yl]amino}phenyl)benzamide
  • N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-indol-1-yl)propanamide
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide