3-(4-Hydroxy-3-methoxyphenyl)propionic acid, 97%, Thermo Scientific Chemicals

Description

It is a caffeine metabolite which showed high antioxidant activity. It is a very sensitive biomarker for the consumption of relatively small amount of coffee. an be used to inhibit prostaglandin E(2) production.

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
It is a caffeine metabolite which showed high antioxidant activity. It is a very sensitive biomarker for the consumption of relatively small amount of coffee. an be used to inhibit prostaglandin E(2) production.

Solubility
Soluble in dimethyl sulfoxide and methanol.

Notes
Store in cool place. Keep away from oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 1135-23-5
• Molecular Formula: C10H12O4
• Molecular Weight (g/mol): 196.202
• MDL Number: MFCD00016558
• InChI Key: BOLQJTPHPSDZHR-UHFFFAOYSA-N
• Synonym: 3-4-hydroxy-3-methoxyphenyl propanoic acid, 3-4-hydroxy-3-methoxyphenyl propionic acid, dihydroferulic acid, hydroferulic acid, dihydroconiferylic acid, unii-o01rnc700m, benzenepropanoic acid, 4-hydroxy-3-methoxy, 3-4-hydroxymethyl propionic acid, .beta.-4-hydroxy-3-methoxyphenyl propionic acid, 3-4-hydroxy-3-methoxy-phenyl propanoic acid
• PubChem CID: 14340
• ChEBI: CHEBI:86612
• IUPAC Name: 3-(4-hydroxy-3-methoxyphenyl)propanoic acid
• SMILES: COC1=C(C=CC(=C1)CCC(=O)O)O

• Melting Point: 87°C to 92°C
• Quantity: 5 g
• Beilstein: 2110370
• Solubility Information: Soluble in dimethyl sulfoxide and methanol.
• Formula Weight: 196.2
• Percent Purity: 97%
• Chemical Name or Material: 3- (4-Hydroxy-3-methoxyphenyl)propionic acid

Safety and Handling

Hazard Category	Warning
Hazard Statement	GHS H Statement H315-H319-H335 Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	GHS P Statement P261-P280-P305+P351+P338-P304+P340-P405-P501a Avoid breathing dust/fume/gas/mist/vapors/spray. Wear protective gloves/protective clothing/eye protection/face protection. 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 keep at rest in a position comfortable for breathing. Store locked up. Dispose of contents/container in accordance with local/regional/national/international regulations.
EINECSNumber	214-489-5
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only