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

Product Code	Brand	Quantity	Packaging
10438640	Thermo Scientific Acros 114930050	5g	Glass bottle
10745181	Thermo Scientific Acros 114930250	25g	Glass bottle
11955091	Thermo Scientific Acros 114931000	100g	Glass bottle

Description

This Thermo Scientific 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.

Chemical Identifiers

• CAS: 331-39-5
• Molecular Weight (g/mol): 180.16
• 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

• Molecular Formula: C₉H₈O₄
• InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N
• PubChem CID: 689043
• IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

Specifications

• Chemical Name or Material: 3, 4-Dihydroxycinnamic acid
• CAS Min %: 99.0
• Color: Green-Yellow to Yellow
• Assay Percent Range: 99+%
• Molecular Formula: C₉H₈O₄
• Beilstein: 10,436
• Merck Index: 15,1638
• Quantity: 5g
• InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N
• IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
• PubChem CID: 689043
• Formula Weight: 180.16
• Percent Purity: 99+%

• CAS: 331-39-5
• CAS Max %: 100.0
• Melting Point: 194.0°C to 198.0°C
• Infrared Spectrum: Authentic
• Linear Formula: (HO)₂C₆H₃CH=CHCO₂H
• Packaging: Glass bottle
• 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
• Solubility Information: Solubility in water: soluble in hot water. Other solubilities: freely soluble in cold alcohol
• SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O
• Molecular Weight (g/mol): 180.16
• ChEBI: CHEBI:16433
• Physical Form: Powder

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

Hazard Statement

• 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.

Precautionary Statement

• 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.

RUO – Research Use Only