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
  • N-(3-ethoxypropyl)-2-(1H-indol-3-yl)-2-oxoacetamide
  • 1-(2-methyl-1H-indol-3-yl)-2-(2-methylindolin-1-yl)ethane-1,2-dione
  • 1-(1,2-dimethyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethane-1,2-dione
  • N-{3-[(4-chlorobenzyl)amino]-3-oxopropyl}-1-[(4-fluorophenyl)sulfonyl]piperidine-4-carboxamide
  • 2-(1,2-dimethyl-1H-indol-3-yl)-N-(1-methoxypropan-2-yl)-2-oxoacetamide
  • 2-(1,1,2,3,3,3-Hexafluoropropoxy)benzenesulfonamide
  • (1R,2S,4S,5S)-Methyl 4-hydroxy-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate
  • N-phenethyl-2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
  • 2-((3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-N-(2-ethoxyphenyl)acetamide
  • (2E)-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chlorobenzoate
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