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Phenylethyl 3-methylcaffeate
[CAS# 71835-85-3]

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Identification
ClassificationBiochemical >> Natural biochemical product
NamePhenylethyl 3-methylcaffeate
Synonyms2-phenylethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular StructureCAS # 71835-85-3, Phenylethyl 3-methylcaffeate
Molecular FormulaC18H18O4
Molecular Weight298.33
CAS Registry Number71835-85-3
SMILESCOC1=C(C=CC(=C1)/C=C/C(=O)OCCC2=CC=CC=C2)O
Properties
Solubility5.857 mg/L (25 °C water)
Density1.2±0.1 g/cm3, Calc.*
Index of Refraction1.606, Calc.*
Melting point155.02 °C
Boiling Point474.7±40.0 °C (760 mmHg), Calc.*, 416.90 °C
Flash Point171.6±20.8 °C, Calc.*
*Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbolssymbol   GHS07 Warning  Details
Risk StatementsH302-H315-H319  Details
Safety StatementsP264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501  Details
SDSAvailable
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