Hexanoic acid, 2-methyl-, methyl ester

CAS Registry Number®

2177-81-3

CAS Name

Hexanoic acid, 2-methyl-, methyl ester

Molecular Formula

C8H16O2

Molecular Mass

144.21

Cite this Page

Hexanoic acid, 2-methyl-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2177-81-3 (retrieved 2025-05-18) (CAS RN: 2177-81-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    59-60 °C @ Press: 17 Torr

  • Density (2)

    0.8746 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H16O2/c1-4-5-6-7(2)8(9)10-3/h7H,4-6H2,1-3H3

InChIKey

InChIKey=NCFJODHIQVLMQF-UHFFFAOYSA-N

SMILES

C(C(OC)=O)(CCCC)C

Canonical SMILES

O=C(OC)C(C)CCCC

Other Names for this Substance

  • Hexanoic acid, 2-methyl-, methyl ester
  • Methyl 2-methylhexanoate
  • Methyl α-methylhexanoate
  • Methyl α-methylcaproate
  • Methyl (±)-2-methylcaproate

View All

Deleted or Replaced CAS Registry Numbers

118628-17-4

CAS INSIGHTSTM
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