Beta-cyclocitral

Catalog	ACM432257
CAS	432-25-7
Structure
Synonyms	1-Formyl-2,6,6-trimethyl-1-cyclohexene
IUPAC Name	2,6,6-Trimethylcyclohexene-1-carbaldehyde
Molecular Weight	152.23
Molecular Formula	C10H16O
Canonical SMILES	CC1=C(C(CCC1)(C)C)C=O
InChI	InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
InChI Key	MOQGCGNUWBPGTQ-UHFFFAOYSA-N
Boiling Point	62-63 °C
Melting Point	62-63°C
Flash Point	>230 °F
Purity	95%+
Density	0.943 g/mL at 25 °C(lit.)
Solubility	water, 86.14 mg/L @ 25 °C (est)
Appearance	Colorless to pale yellow clear liquid (est)
Exact Mass	152.12011513
Monoisotopic Mass	152.12011513
Physical State	Oil
Refractive Index	n20/D 1.497(lit.)
Storage Conditions	Inert atmosphere,under -20 °C
Topological Polar Surface Area	17.1 Ų