Geranyl acetoacetate

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Catalog Number
ACM10032005
Product Name
Geranyl acetoacetate
Structure
Structure
CAS
10032-00-5
Category
Heterocyclic Organic Compound
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
Density
1.0969 g/mL at 25 °C(lit.)
Solubility
Insoluble in water; soluble in alcohol and oil
Assay
0.98
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
Packaging
1 kg
Physical State
Oily liquid
Refractive Index
n20/D 1.474(lit.)
Topological Polar Surface Area
43.4 Ų
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