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

Product Code. 10745181

Brand: Thermo Scientific Acros 114930250

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: 25 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

Product Identifier

• 3,4-Dihydroxycinnamic acid, predominantly trans isomer

Signal Word

• Warning

Hazard Category

• Carcinogenicity Category 2
• Serious eye damage/eye irritation Category 2
• Reproductive toxicity Category 2
• Skin corrosion/irritation Category 2
• Specific target organ toxicity Category 3

Indicazioni di pericolo

• H319-Causes serious eye irritation.
• H351-Suspected of causing cancer.
• H361-Suspected of damaging fertility or the unborn child.
• H335-May cause respiratory irritation.
• H315-Causes skin irritation.

Consigli di prudenza

• P261-Avoid breathing dust/fume/gas/mist/vapours/spray.
• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P302+P352-IF ON SKIN: Wash with plenty of water/.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
• P312-Call a POISON CENTER/doctor/if you feel unwell.

SDS

RUO – Research Use Only