Heptanoic acid, 2,2-dimethyl-, methyl ester

CAS Registry Number®

813-70-7
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CAS Name

Heptanoic acid, 2,2-dimethyl-, methyl ester

Molecular Formula

C10H20O2

Molecular Mass

172.26

Cite this Page

Heptanoic acid, 2,2-dimethyl-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=813-70-7 (retrieved 2024-09-12) (CAS RN: 813-70-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    79-80 °C @ Press: 17 Torr

  • Density (2)

    0.8756 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H20O2/c1-5-6-7-8-10(2,3)9(11)12-4/h5-8H2,1-4H3

InChIKey

InChIKey=TWDSPUJFEJFHTH-UHFFFAOYSA-N

SMILES

C(C(OC)=O)(CCCCC)(C)C

Canonical SMILES

O=C(OC)C(C)(C)CCCCC

Other Names for this Substance

  • Heptanoic acid, 2,2-dimethyl-, methyl ester
  • Methyl α,α-dimethylenanthate
  • Methyl 2,2-dimethylheptanoate