CAS Registry Number®
23726-93-4
CAS Name
β-Damascenone
Molecular Formula
C13H18O
Molecular Mass
190.28
Compound Properties
-
Boiling Point (1)
116 °C @ Press: 13 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/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+
InChIKey
InChIKey=POIARNZEYGURDG-FNORWQNLSA-N
SMILES
C(/C=C/C)(=O)C=1C(C)(C)CC=CC1C
Canonical SMILES
O=C(C=CC)C1=C(C=CCC1(C)C)C
Other Names for this Substance
- 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2E)-
- 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)-
- (2E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
- Damascenone
- Damascenone, trans–
- β-Damascenone
- trans-2,6,6-Trimethyl-1-crotonylcyclohexa-1,3-diene
- 2,6,6-Trimethyl-1-trans-crotonoyl-1,3-cyclohexadiene
- trans-2,6,6-Trimethyl-1-(2-butenoyl)cyclohexa-1,3-diene
- trans-β-Damascenone
- trans-Damascenone
- (E)-Damascenone
- (E)-β-Damascenone
- (E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
Deleted or Replaced CAS Registry Numbers
36649-63-5