CAS Registry Number®
97-89-2
CAS Name
Citronellyl isobutyrate
Molecular Formula
C14H26O2
Molecular Mass
226.35
Compound Properties
-
Boiling Point (1)
175-180 °C @ Press: 15 Torr
Source(s)
- (1) GB617892, 1949, CAplus
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
- 2,6-Dimethyl-2-octen-8-yl isobutyrate
- NSC 46148
- 3,7-Dimethyloct-6-en-1-yl isobutyrate
Deleted or Replaced CAS Registry Numbers
76444-25-2
