3,4-Dihydroxycinnamic acid, 99+%, predominantly trans isomer

Description

CAS: 331-39-5 | C₉H₈O₄ | 180.16 g/mol

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Specifications

Chemical Identifiers

• CAS: 331-39-5
• Molecular Formula: C₉H₈O₄
• Molecular Weight (g/mol): 180.16
• InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N
• Synonym: caffeic acid, 3,4-dihydroxycinnamic acid, 3-3,4-dihydroxyphenyl acrylic acid, trans-caffeate, 3,4-dihydroxy-trans-cinnamate, 2e-3-3,4-dihydroxyphenyl prop-2-enoic acid, 3,4-dihydroxybenzeneacrylic acid, e-3-3,4-dihydroxyphenyl acrylic acid, trans-caffeic acid, 3-3,4-dihydroxyphenyl propenoic acid
• PubChem CID: 689043
• ChEBI: CHEBI:16433
• IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
• SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O

• CAS Min %: 99.0
• CAS Max %: 100.0
• Melting Point: 194.0°C to 198.0°C
• Color: Green-Yellow to Yellow
• Infrared Spectrum: Authentic
• Assay Percent Range: 99+%
• Packaging: Glass bottle
• Linear Formula: (HO)₂C₆H₃CH=CHCO₂H
• Quantity: 5 g
• Beilstein: 10,436
• Merck Index: 15,1638
• Solubility Information: Solubility in water: soluble in hot water. Other solubilities: freely soluble in cold alcohol
• Formula Weight: 180.16
• Percent Purity: 99+%
• Physical Form: Powder
• Chemical Name or Material: 3, 4-Dihydroxycinnamic acid

Safety and Handling

Hazard Category	GHS Signal Word: Warning
Hazard Statement	GHS H Statement Suspected of causing cancer. Causes skin irritation. May cause respiratory irritation. Causes serious eye irritation. Suspected of damaging fertility or the unborn child.
Precautionary Statement	GHS P Statement IF ON SKIN: Wash with plenty of soap and water. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,if present and easy to do. Continue rinsing. IF INHALED: Remove to fresh air and kee
EINECSNumber	206-361-2

SDS

RUO – Research Use Only