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Substance Name: 2-Methylbutyl acetate
RN: 624-41-9
UNII: IY8732E0YC
InChIKey: XHIUFYZDQBSEMF-UHFFFAOYSA-N

Classification Code

  • TWA (50 ppm); STEL (100 ppm)

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.186
 
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Names and Synonyms

Name of Substance

  • 2-Methylbutyl acetate

Synonyms

  • 1-Butanol, 2-methyl-, acetate
  • 2-Methyl-1-butyl acetate
  • 2-Methylbutyl acetate
  • 2-Methylbutyl acetate (natural)
  • EINECS 210-843-8
  • FEMA No. 3644
  • UNII-IY8732E0YC

Systematic Names

  • 1-Butanol, 2-methyl-, 1-acetate
  • 1-Butanol, 2-methyl-, acetate
  • 2-Methylbutyl acetate

Superlist Names

  • 1-Butanol, 2-methyl-, acetate
  • 2-Methylbutyl acetate
  • Pentyl acetate, all isomers

Registry Numbers

CAS Registry Number

  • 624-41-9

FDA UNII

  • IY8732E0YC

Other Registry Number

  • 129829-14-7

System Generated Number

  • 0000624419

Structure Descriptors

InChI

1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3

InChIKey

XHIUFYZDQBSEMF-UHFFFAOYSA-N

Smiles

C([C@@H](CC)C)OC(C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 140 deg C   EXP
log P (octanol-water) 2.260 (none)   EST
Atmospheric OH Rate Constant 6.30E-12 cm3/molecule-sec 25 EST

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