Ketoisophorone
CAS Registry Number®
1125-21-9
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CAS Name
KetoisophoroneMolecular Formula
C9H12O2Molecular Mass
152.19Cite this Page
Ketoisophorone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1125-21-9 (retrieved ) (CAS RN: 1125-21-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
92-94 °C @ Press: 11 TorrMelting Point (1)
15-16 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
InChIKey
InChIKey=AYJXHIDNNLJQDT-UHFFFAOYSA-N
SMILES
O=C1C(C)(C)CC(=O)C=C1C
Canonical SMILES
O=C1C=C(C(=O)C(C)(C)C1)C
Other Names for this Substance
- 2-Cyclohexene-1,4-dione, 2,6,6-trimethyl-
- 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
- 3,5,5-Trimethyl-2-cyclohexene-1,4-dione
- 4-Oxoisophorone
- 2,6,6-Trimethylcyclohex-2-ene-1,4-dione
