Citronellyl isobutyrate

CAS Registry Number®

97-89-2

CAS Name

Citronellyl isobutyrate

Molecular Formula

C14H26O2

Molecular Mass

226.35

Cite this Page

Citronellyl isobutyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97-89-2 (retrieved 2024-11-23) (CAS RN: 97-89-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    175-180 °C @ Press: 15 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3

InChIKey

InChIKey=ZGPPERKMXSGYRK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octen-1-yl ester
  • Isobutyric acid, 3,7-dimethyl-6-octenyl ester
  • Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester
  • Isobutyric acid, ester with citronellol
  • Citronellyl isobutyrate

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Deleted or Replaced CAS Registry Numbers

76444-25-2

CAS INSIGHTSTM
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