β-Ionone
CAS Registry Number®
79-77-6
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CAS Name
β-IononeMolecular Formula
C13H20OMolecular Mass
192.30Cite this Page
β-Ionone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=79-77-6 (retrieved ) (CAS RN: 79-77-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
135-140 °C @ Press: 16 TorrMelting Point (2)
122-124 °CDensity (2)
0.9468 g/cm³ @ Temp: 20 °C
Source(s)
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
