Citronellyl isovalerate

CAS Registry Number®

68922-10-1

CAS Name

Citronellyl isovalerate

Molecular Formula

C15H28O2

Molecular Mass

240.38

Cite this Page

Citronellyl isovalerate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68922-10-1 (retrieved 2025-01-07) (CAS RN: 68922-10-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    145-150 °C @ Press: 14 Torr

  • Density (1)

    0.8818-0.8839 g/cm³ @ Temp: 15 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3

InChIKey

InChIKey=WZTNQQJXPYEGAF-UHFFFAOYSA-N

SMILES

O(C(CC(C)C)=O)CCC(CCC=C(C)C)C

Canonical SMILES

O=C(OCCC(C)CCC=C(C)C)CC(C)C

Other Names for this Substance

  • Butanoic acid, 3-methyl-, 3,7-dimethyl-6-octen-1-yl ester
  • Butanoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester
  • Isovaleric acid, 3,7-dimethyl-6-octenyl ester
  • Citronellyl isovalerate

Deleted or Replaced CAS Registry Numbers

93919-92-7

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