Isoferulic acid
[CAS# 25522-33-2]

Identification

• Classification: Natural product >> Phenylpropanoid
• Name: Isoferulic acid
• Synonyms: (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
• Molecular Formula: C₁₀H₁₀O₄
• Molecular Weight: 194.19
• CAS Registry Number: 25522-33-2
• EC Number: 247-071-6
• SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)O)O

Properties

• Solubility: 7191 mg/L (25 °C water)
• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.627, Calc.^*
• Melting point: 126.07 °C
• Boiling Point: 410.2±35.0 °C (760 mmHg), Calc.^*, 354.20 °C
• Flash Point: 167.6±19.4 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H315-H319-H335
• Safety Statements: P261-P264-P264+P265-P271-P280-P302+P352-P304+P340-P305+P351+P338-P319-P321-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Eye irritation	Eye Irrit.	2A	H319
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335