3,5,5-Trimethyl-1,2-cyclohexanedione 2-hydroxyisophorone

CAS	4883-60-7
Structure
Synonyms	2-Hydroxyisophorone
IUPAC Name	2-Hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
Molecular Weight	154.21
Canonical SMILES	CC1=C(C(=O)CC(C1)(C)C)O
InChI	InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h11H,4-5H2,1-3H3
InChI Key	DWGZTTFGUFHAJX-UHFFFAOYSA-N
Boiling Point	100 °C
Melting Point	89-90 °C
Purity	95%+
Density	1.044±0.06 g/cm³
Solubility	Slightly soluble in water; soluble in ethanol, fat
Exact Mass	154.099379685
Monoisotopic Mass	154.099379685
Physical State	Solid
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	37.3 Ų