Geranyl acetoacetate

Catalog	ACM10032005
CAS	10032-00-5
Structure
Synonyms	Acetoacetic acid (2E)-3,7-dimethyl-2,6-octadienyl ester
IUPAC Name	[(2E)-3,7-Dimethylocta-2,6-dienyl] 3-oxobutanoate
Molecular Weight	238.32
Molecular Formula	C14H22O3
Canonical SMILES	CC(=CCCC(=CCOC(=O)CC(=O)C)C)C
InChI	InChI=1S/C14H22O3/c1-11(2)6-5-7-12(3)8-9-17-14(16)10-13(4)15/h6,8H,5,7,9-10H2,1-4H3/b12-8+
InChI Key	RYILZWKGLGVPOC-XYOKQWHBSA-N
Boiling Point	305.7 °C
Flash Point	144.2°C
Purity	95%+
Density	1.0969 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in alcohol and oil
Exact Mass	238.15689456
Isomeric SMILES	CC(=CCC/C(=C/COC(=O)CC(=O)C)/C)C
Monoisotopic Mass	238.15689456
Odor	Sweet, fruity, winey, fermented apple-like odor
Physical State	Oily liquid
Refractive Index	n20/D 1.474(lit.)
Topological Polar Surface Area	43.4 Ų