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Hydroxyvalerenic acid
[CAS# 1619-16-5]

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Identification
NameHydroxyvalerenic acid
Synonyms(E)-3-[(1R,4S,7R,7aR)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
Molecular StructureCAS # 1619-16-5, Hydroxyvalerenic acid
Molecular FormulaC15H22O3
Molecular Weight250.33
CAS Registry Number1619-16-5
SMILESC[C@@H]1CC[C@H](C2=C(C[C@H]([C@H]12)O)C)/C=C(C)/C(=O)O
Properties
Solubility178.8 mg/L (25 °C water)
Density1.1±0.1 g/cm3, Calc.*
Index of Refraction1.548, Calc.*
Melting point142.02 °C
Boiling Point426.0±40.0 °C (760 mmHg), Calc.*, 387.29 °C
Flash Point225.6±23.8 °C, Calc.*
*Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
SDSAvailable
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