Structure

Calyxol

CAS
59151-19-8
Catalog Number
ACM59151198
Category
Other Products
Molecular Weight
252.35
Molecular Formula
C15H24O3

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Specification

Synonyms
ETHYL-2-METHYL-6-PENTYL-4-OXOCYCLOHEX-2-ENE CARBOXYLATE;CALYXOL;ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate;2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester;2-METHYL-4-OXO-6-PENTYL-2-CYCLOHEXENE-1-CARBOXYLIC ACI ETHYL
IUPAC Name
ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate
Canonical SMILES
CCCCCC1CC(=O)C=C(C1C(=O)OCC)C
InChI Key
ZJLHQWGPVWXKME-UHFFFAOYSA-N
Boiling Point
345.9ºC at 760 mmHg
Flash Point
148.6°C
Density
0.987 g/cm³
Solubility
water, 7.423 mg/L @ 25 °C (est)
Assay
0.99
EC Number
261-629-6
Exact Mass
252.17300
H-Bond Acceptor
3
H-Bond Donor
0
Packaging
25 kg
Refractive Index
1.467
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