3-Methyl-5-phenyl-1-pentanal

CAS	55066-49-4
Structure
Synonyms	Beta-methyl-benzenepentana
IUPAC Name	3-Methyl-5-phenylpentanal
Molecular Weight	176.25
Canonical SMILES	CC(CCC1=CC=CC=C1)CC=O
InChI	InChI=1S/C12H16O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChI Key	DFJMIMVMOIFPQG-UHFFFAOYSA-N
Boiling Point	142-144 °C
Flash Point	94 °C
Purity	95%+
Density	0.947±0.06 g/cm³
Exact Mass	176.12011513
Monoisotopic Mass	176.12011513
Physical State	Liquid
Refractive Index	n20/D 1.503-1.509(lit.)
Topological Polar Surface Area	17.1 Ų