Phenylethyl isovalerate

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Names

[ CAS No. ]:
140-26-1

[ Name ]:
Phenylethyl isovalerate

[Synonym ]:
Isovaleric Acid Phenethyl Ester
2-Phenylethyl 3-methylbutanoate
Isovaleric Acid 2-Phenylethyl Ester
MFCD00044322
EINECS 205-406-3
Benzyl carbinyl isovalerianate,Phenethyl isopentanoate
Butanoic acid, 3-methyl-, 2-phenylethyl ester
Phenylethyl isovalerate
β-Phenylethyl isovalerate
Phenethyl Isovalerate

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
281.9±9.0 °C at 760 mmHg

[ Molecular Formula ]:
C13H18O2

[ Molecular Weight ]:
206.281

[ Flash Point ]:
108.0±17.1 °C

[ Exact Mass ]:
206.130676

[ PSA ]:
26.30000

[ LogP ]:
3.71

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.494

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY1511500
CHEMICAL NAME :
Isovaleric acid, phenethyl ester
CAS REGISTRY NUMBER :
140-26-1
BEILSTEIN REFERENCE NO. :
2504902
LAST UPDATED :
199701
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C13-H18-O2
MOLECULAR WEIGHT :
206.31
WISWESSER LINE NOTATION :
1Y1&1VO2R

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 :
6220 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
VPITAR Voprosy Pitaniya. Problems of Nutrition. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11- 1952- Volume(issue)/page/year: 33(5),48,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6220 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
VPITAR Voprosy Pitaniya. Problems of Nutrition. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11- 1952- Volume(issue)/page/year: 33(5),48,1974
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: 12,961,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
6220 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
VPITAR Voprosy Pitaniya. Problems of Nutrition. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11- 1952- Volume(issue)/page/year: 33(5),48,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4859 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 ]:
1

[ RTECS ]:
NY1511500

[ HS Code ]:
2915600000

Synthetic Route

Precursor & DownStream

Precursor

  • 3-Methylbutanoic acid
  • Phenethyl alcohol
  • 3-Methylbutanoyl chloride
  • benzene
  • (2-Bromoethyl)benzene

DownStream

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

  • 1-Phenylethyl isovalerate
  • PHENYLETHYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
  • (phenylethyl)benzene
  • citronellyl isovalerate
  • Methyl isovalerate
  • neryl isovalerate
  • 4-(3-Aminopropyl)-1lambda6-thiomorpholine-1,1-dione hydrochloride
  • (2-Azidoethyl)[3-(dimethylamino)propyl]methylamine dihydrochloride
  • 3-(2-tert-butyl-1H-1,3-benzodiazol-1-yl)propanoic acid hydrochloride
  • 1-(2-Aminoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one hydrochloride
  • 8-Fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine hydrochloride
  • 5-methyl-1-(pentan-3-yl)-1H-pyrazol-3-amine hydrochloride
  • 2-Bromo-5-chloro-D-phenylalanine
  • (1R,5S)-8-azabicyclo[3.2.1]oct-2-en-8-yl(2-bromo-5-methoxyphenyl)methanone
  • 2-(1H-1,2,4-triazol-1-ylmethyl)benzene-1-sulfonyl chloride hydrochloride
  • 1-(2-Methylpropanesulfonyl)piperidin-4-amine hydrochloride
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