3,4-Dihydroxycinnamic acid, predominantly trans, 98+%, Thermo Scientific Chemicals

Product Code	Brand	Quantity
11498496	Thermo Scientific Alfa Aesar A15950.09	10 g
11408506	Thermo Scientific Alfa Aesar A15950.18	50 g

Description

3,4-Dihydroxycinnamic acid, predominantly trans stimulates prostaglandin synthesis at high doses. It has antioxidant, anti-inflammatory, anti-tumor and immunomodulatory properties.

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

Applications
3,4-Dihydroxycinnamic acid, predominantly trans stimulates prostaglandin synthesis at high doses. It has antioxidant, anti-inflammatory, anti-tumor and immunomodulatory properties.

Solubility
Soluble in DMSO (40 mg/mol), ethanol (25 mg/mL warm), DMF (∼7 mg/mL), PBS, PH 7.2 (∼0.65 mg/mol), hot water, ethyl acetate, Chloroform Hexane, and methanol.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Incompatible with strong bases and strong oxidizing agents.

Chemical Identifiers

• CAS: 331-39-5
• Molecular Weight (g/mol): 180.159
• InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N
• PubChem CID: 689043
• IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

• Molecular Formula: C9H8O4
• MDL Number: MFCD00004392
• 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
• ChEBI: CHEBI:16433
• SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O

Specifications

• CAS: 331-39-5
• Molecular Formula: C9H8O4
• Beilstein: 2210883
• 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
• InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N
• IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
• PubChem CID: 689043
• Formula Weight: 180.16
• Chemical Name or Material: 3,4-Dihydroxycinnamic acid, predominantly trans

• Melting Point: ∼202°C (decomposition)
• MDL Number: MFCD00004392
• Merck Index: 14,1635
• Solubility Information: Soluble in DMSO (40mg/mol),ethanol (25mg/mL warm),DMF (∽7mg/mL),PBS,PH 7.2 (∽0.65mg/mol),hot water,ethyl acetate,Chloroform Hexane,and methanol.
• SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O
• Molecular Weight (g/mol): 180.159
• ChEBI: CHEBI:16433
• Percent Purity: 99%

Safety and Handling

GHS H Statement
H351-H315-H319-H335
Suspected of causing cancer.
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.

P201-P202-P261-P264b-P271-P280i-P281-P302+P352-P304+P340-P305+P351+P338-P308+P313-P332+P313-P362-P501c

H315-H319-H335-H351-H361

missing translation for 'einecsNumber' : 206-361-2

missing translation for 'rtecsNumber' : GD8950000

missing translation for 'tsca' : No

Recommended Storage : Ambient temperatures

RUO – Research Use Only