Isobutyl cinnamate

Catalog	ACM122678-1
CAS	122-67-8
Structure
Description	Colourless liquid, sweet fruity balsamic odour
Synonyms	Labdanol
IUPAC Name	2-Methylpropyl (E)-3-phenylprop-2-enoate
Molecular Weight	204.26
Molecular Formula	C13H16O2
Canonical SMILES	CC(C)COC(=O)C=CC1=CC=CC=C1
InChI	InChI=1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
InChI Key	IQZUZPKOFSOVET-CMDGGOBGSA-N
Boiling Point	287 °C
Flash Point	237 °F
Purity	98%+
Density	1 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in oils
Appearance	Colorless to pale yellow clear liquid (est)
Application	This product is suitable for scientific research.
Storage	room temp
Exact Mass	204.115029749
Isomeric SMILES	CC(C)COC(=O)/C=C/C1=CC=CC=C1
Monoisotopic Mass	204.115029749
Physical State	Liquid
Refractive Index	n20/D 1.54(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	26.3 Ų