β-Isophorone
CAS Registry Number®
471-01-2
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CAS Name
β-IsophoroneMolecular Formula
C9H14OMolecular Mass
138.21Cite this Page
β-Isophorone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=471-01-2 (retrieved ) (CAS RN: 471-01-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
184 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3
InChIKey
InChIKey=LKOKKQDYMZUSCG-UHFFFAOYSA-N
SMILES
CC1(C)C=C(C)CC(=O)C1
Canonical SMILES
O=C1CC(=CC(C)(C)C1)C
Other Names for this Substance
- 3-Cyclohexen-1-one, 3,5,5-trimethyl-
- 3,5,5-Trimethyl-3-cyclohexen-1-one
- β-Phorone
- β-Isophorone
- Crocusatin E
