4-(But-2-en-1-ylidene)-3,5,5-trimethylcyclohex-2-enone

CAS	13215-88-8
Structure
Synonyms	Tabanone
IUPAC Name	(4E)-4-[(E)-But-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one
Molecular Weight	190.28
Canonical SMILES	CC=CC=C1C(=CC(=O)CC1(C)C)C
InChI	InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5+,12-7-
InChI Key	CBQXHTWJSZXYSK-DFTQQVSXSA-N
Boiling Point	289 °C
Flash Point	124.8 °C
Purity	98%+
Density	0.968 g/mL at 25 °C(lit.)
Solubility	Practically insoluble or insoluble in water
Exact Mass	190.135765193
Isomeric SMILES	C/C=C/C=C\1/C(=CC(=O)CC1(C)C)C
Monoisotopic Mass	190.135765193
Odor	Fruity floral tobacco-like aroma
Physical State	Liquid
Storage Conditions	2-8 °C
Topological Polar Surface Area	17.1 Ų