3-Phenylbutyraldehyde

Catalog	ACM16251777
CAS	16251-77-7
Structure
Synonyms	3-Methyl-3-phenylpropanal
IUPAC Name	3-Phenylbutanal
Molecular Weight	148.2
Molecular Formula	C10H12O
Canonical SMILES	CC(CC=O)C1=CC=CC=C1
InChI	InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChI Key	MYHGOWDLVRDUFA-UHFFFAOYSA-N
Boiling Point	93-94 °C
Flash Point	206 °F
Purity	95%+
Density	0.997 g/mL at 25 °C(lit.)
Exact Mass	148.088815002
Monoisotopic Mass	148.088815002
Refractive Index	n20/D 1.5179(lit.)
Topological Polar Surface Area	17.1 Ų