CAS Registry Number®
23726-91-2
CAS Name
β-Damascone
Molecular Formula
C13H20O
Molecular Mass
192.30
Compound Properties
-
Boiling Point (1)
97 °C @ Press: 3 Torr
Source(s)
- (1) Baker, Richard R.; Journal of Analytical and Applied Pyrolysis, (2004), 71(1), 223-311, CAplus
Other Names and Identifiers
InChI
InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+
InChIKey
InChIKey=BGTBFNDXYDYBEY-FNORWQNLSA-N
SMILES
C(/C=C/C)(=O)C=1C(C)(C)CCCC1C
Canonical SMILES
O=C(C=CC)C1=C(C)CCCC1(C)C
Other Names for this Substance
- 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-
- 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
- (2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
- β-Damascone, trans–
- β-Damascone
- trans-2,6,6-Trimethyl-1-crotonylcyclohex-1-ene
- trans-β-Damascone
- (E)-β-Damascone
- Damascone beta
- (E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one