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Substance Name: Methyl valerate
RN: 624-24-8
UNII: ZW21JJJ9VN
InChIKey: HNBDRPTVWVGKBR-UHFFFAOYSA-N

Molecular Formula

  • C6-H12-O2

Molecular Weight

  • 116.1588
 
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Names and Synonyms

Name of Substance

  • Methyl valerate

Synonyms

  • 4-02-00-00871 (Beilstein Handbook Reference)
  • BRN 1741905
  • EINECS 210-838-0
  • FEMA No. 2752
  • Methyl n-valerate
  • Methyl pentanoate
  • Methyl valerate
  • Methyl valerianate
  • Pentanoic acid, methyl ester
  • UNII-ZW21JJJ9VN
  • Valeric acid, methyl ester

Systematic Names

  • Methyl valerate
  • Pentanoic acid, methyl ester
  • Valeric acid, methyl ester

Superlist Name

  • Methyl valerate

Registry Numbers

CAS Registry Number

  • 624-24-8

FDA UNII

  • ZW21JJJ9VN

System Generated Number

  • 0000624248

Structure Descriptors

InChI

1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3

InChIKey

HNBDRPTVWVGKBR-UHFFFAOYSA-N

Smiles

CCCCC(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 6600mg/m3 (6600mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LC50 inhalation 6600mg/m3/2H (6600mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 88, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 127.4 deg C   EXP
log P (octanol-water) 1.96 (none)   EXP
Water Solubility 5060 mg/L 25 EXP
Vapor Pressure 19.1 mm Hg 25 EXP
Henry's Law Constant 3.18E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.30E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.