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Substance Name: Formic acid, 1-methylpropyl ester
RN: 589-40-2
InChIKey: OAEQYDZVVPONKW-UHFFFAOYSA-N

Molecular Formula

  • C5-H10-O2

Molecular Weight

  • 102.132
 
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Names and Synonyms

Synonyms

  • 2-Butyl formate
  • Formic acid, 1-methylpropyl ester
  • NSC 8430
  • sec-Butyl formate
  • sec-Butyl methanoate

Systematic Names

  • Formic acid, 1-methylpropyl ester
  • Formic acid, sec-butyl ester (8CI)

Registry Numbers

CAS Registry Number

  • 589-40-2

Other Registry Number

  • 133399-22-1

System Generated Number

  • 0000589402

Structure Descriptors

InChI

InChI=1S/C5H10O2/c1-3-5(2)7-4-6/h4-5H,3H2,1-2H3

InChIKey

OAEQYDZVVPONKW-UHFFFAOYSA-N

Smiles

CCC(C)OC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 5670uL/kg (5.67mL/kg)   National Technical Information Service. Vol. OTS0535261,
rat LD50 oral 11300uL/kg (11.3mL/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0535261,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 97 deg C   EXP
log P (octanol-water) 1.230 (none)   EST
Atmospheric OH Rate Constant 5.30E-12 cm3/molecule-sec 25 EST

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