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

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Identification
Classification Biochemical >> Natural biochemical product
Name Phenylethyl 3-methylcaffeate
Synonyms 2-phenylethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular Structure CAS # 71835-85-3, Phenylethyl 3-methylcaffeate, 2-phenylethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular Formula C18H18O4
Molecular Weight 298.33
CAS Registry Number 71835-85-3
SMILES COC1=C(C=CC(=C1)/C=C/C(=O)OCCC2=CC=CC=C2)O
Properties
Solubility 5.857 mg/L (25 ºC water)
Density 1.2±0.1 g/cm3, Calc.*
Index of Refraction 1.606, Calc.*
Melting point 155.02 ºC
Boiling Point 474.7±40.0 ºC (760 mmHg), Calc.*, 416.90 ºC
Flash Point 171.6±20.8 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H302-H315-H319    Details
Precautionary Statements P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501    Details
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