2-Hepten-1-yl 3-methylbutanoate

CAS Registry Number®

253596-70-2
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CAS Name

2-Hepten-1-yl 3-methylbutanoate

Molecular Formula

C12H22O2

Molecular Mass

198.30

Cite this Page

2-Hepten-1-yl 3-methylbutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=253596-70-2 (retrieved 2024-04-19) (CAS RN: 253596-70-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H22O2/c1-4-5-6-7-8-9-14-12(13)10-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3

InChIKey

InChIKey=ACRNCNWXWBBKGP-UHFFFAOYSA-N

SMILES

C(OCC=CCCCC)(CC(C)C)=O

Canonical SMILES

O=C(OCC=CCCCC)CC(C)C

Other Names for this Substance

  • Butanoic acid, 3-methyl-, 2-hepten-1-yl ester
  • Butanoic acid, 3-methyl-, 2-heptenyl ester
  • 2-Hepten-1-yl 3-methylbutanoate

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