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Substance Name: Butyl 2-methyl butyrate
RN: 15706-73-7
UNII: W313K2V7PG
InChIKey: OTKQNSSMCDLVQV-UHFFFAOYSA-N

Molecular Formula

  • C9-H18-O2

Molecular Weight

  • 158.239
 
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Names and Synonyms

Name of Substance

  • Butyl 2-methyl butyrate

Synonyms

  • AI3-33622
  • alpha-Butyl 2-methylbutylate
  • Butanoic acid, 2-methyl-, butyl ester
  • Butyl 2-methylbutanoate
  • Butyl 2-methylbutyrate
  • Butyric acid, 2-methyl-, butyl ester
  • EINECS 239-798-2
  • FEMA No. 3393
  • n-Butyl-2-methylbutyrate
  • n-Butyl-2-methylbutyrate (natural)
  • UNII-W313K2V7PG

Systematic Names

  • Butanoic acid, 2-methyl-, butyl ester
  • Butyl 2-methylbutyrate

Superlist Name

  • Butyl 2-methylbutyrate

Registry Numbers

CAS Registry Number

  • 15706-73-7

FDA UNII

  • W313K2V7PG

Other Registry Number

  • 144831-53-8

System Generated Number

  • 0015706737

Structure Descriptors

InChI

1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3

InChIKey

OTKQNSSMCDLVQV-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 179 deg C   EXP
log P (octanol-water) 3.250 (none)   EST
Atmospheric OH Rate Constant 6.79E-12 cm3/molecule-sec 25 EST

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