4-(2,5,6,6-Tetramethyl-1-cyclohexen-1-yl)-3-buten-2-one
CAS Registry Number®
79-70-9
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CAS Name
4-(2,5,6,6-Tetramethyl-1-cyclohexen-1-yl)-3-buten-2-oneMolecular Formula
C14H22OMolecular Mass
206.32Cite this Page
4-(2,5,6,6-Tetramethyl-1-cyclohexen-1-yl)-3-buten-2-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=79-70-9 (retrieved ) (CAS RN: 79-70-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
125 °CMelting Point (1)
<25 °CDensity (2)
0.9472 g/cm³ @ Temp: 18 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Koster, Hans; Chemische Berichte, (1947), 80, 248-55, CAplus
Other Names and Identifiers
InChI
InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11H,6-7H2,1-5H3
InChIKey
InChIKey=BGKCUGPVLVNPSG-UHFFFAOYSA-N
SMILES
C(=CC(C)=O)C=1C(C)(C)C(C)CCC1C
Canonical SMILES
O=C(C=CC1=C(C)CCC(C)C1(C)C)C
Other Names for this Substance
- 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-
- β-Ionone, 6-methyl-
- 4-(2,5,6,6-Tetramethyl-1-cyclohexen-1-yl)-3-buten-2-one
- β-Irone
- 6-Methyl-β-ionone
