5-Methyl-2-Phenyl-2-Hexenal

Catalog	ACM21834924-1
CAS	21834-92-4
Structure
Synonyms	(E)-5-Methyl-2-phenylhex-2-enal
IUPAC Name	2-Phenyl-5-methyl-2-hexenal
Molecular Weight	188.26
Molecular Formula	C13H16O
Canonical SMILES	CC(C)CC=C(C=O)C1=CC=CC=C1
InChI	InChI=1S/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3/b13-9-
InChI Key	YURDCJXYOLERLO-LCYFTJDESA-N
Boiling Point	97-99 °C
Flash Point	>230 °F
Purity	99%
Density	0.973 g/mL at 25 °C(lit.)
Solubility	Soluble in oils, insoluble in water
Exact Mass	188.12011513
Isomeric SMILES	CC(C)C/C=C(/C=O)\C1=CC=CC=C1
Monoisotopic Mass	188.12011513
Physical State	Liquid
Refractive Index	n20/D 1.534(lit.)
Storage Conditions	Inert atmosphere,under -20 °C
Topological Polar Surface Area	17.1 Ų