CAS Registry Number®
79-77-6
CAS Name
β-Ionone
Molecular Formula
C13H20O
Molecular Mass
192.30
Compound Properties
-
Boiling Point (1)
239 °C
-
Melting Point (0)
20.5 °C
-
Density (0)
0.9385 g/cm³ @ Temp: 25 °C
Source(s)
- (1) Verley, Albert; US2837569, 1958, CAplus
Other Names and Identifiers
InChI
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey
InChIKey=PSQYTAPXSHCGMF-BQYQJAHWSA-N
SMILES
C(=C/C(C)=O)\C=1C(C)(C)CCCC1C
Canonical SMILES
O=C(C=CC1=C(C)CCCC1(C)C)C
Other Names for this Substance
- 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
- 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
- (3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
- trans-β-Ionone
- β-Ionone
Deleted or Replaced CAS Registry Numbers
1353674-22-2
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