Alpha-hexylcinnamaldehyde

Catalog	ACM101860
CAS	101-86-0
Structure
Synonyms	2-(Phenylmethylene)-octana
IUPAC Name	(2E)-2-Benzylideneoctanal
Molecular Weight	216.32
Molecular Formula	C15H20O
Canonical SMILES	CCCCCCC(=CC1=CC=CC=C1)C=O
InChI	InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
InChI Key	GUUHFMWKWLOQMM-NTCAYCPXSA-N
Boiling Point	174-176 °C/15 mmHg(lit.)
Flash Point	200 °F
Purity	95%
Density	0.95 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; miscible in oils
Appearance	Clear yellow oil
Storage	-20 °C
Exact Mass	216.151415257
Isomeric SMILES	CCCCCC/C(=C\C1=CC=CC=C1)/C=O
Monoisotopic Mass	216.151415257
Odor	Jasmine like odor
Physical State	Liquid
Refractive Index	n20/D 1.55(lit.)
Storage Conditions	-20 °C
Topological Polar Surface Area	17.1 Ų