Chlorogenic acid, Thermo Scientific Chemicals

Product Code	Brand	Quantity
15443229	Thermo Scientific Alfa Aesar J60457.MD	250 mg
15423229	Thermo Scientific Alfa Aesar J60457.03	1 g
15433229	Thermo Scientific Alfa Aesar J60457.06	5 g

Description

Chlorogenic acid is used as a food additive in coffee products, chewing gum and mint. It acts as an intermediate in the biosynthesis of lignin, which is an antioxidant.

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
Chlorogenic acid is used as a food additive in coffee products, chewing gum and mint. It acts as an intermediate in the biosynthesis of lignin, which is an antioxidant.

Solubility
Soluble in ethanol and acetone.

Notes
Incompatible with strong oxidizing agents.

Chemical Identifiers

• CAS: 327-97-9
• Molecular Weight (g/mol): 354.31
• InChI Key: CWVRJTMFETXNAD-JUHZACGLSA-N
• PubChem CID: 1794427
• IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid

• Molecular Formula: C16H18O9
• MDL Number: MFCD00003862
• Synonym: chlorogenic acid, 3-caffeoylquinic acid, chlorogenate, 3-o-caffeoylquinic acid, 3-3,4-dihydroxycinnamoyl quinic acid, heriguard, hlorogenic acid, caffeoyl quinic acid, 3-caffeoylquinate, unii-318adp12ri
• ChEBI: CHEBI:16112
• SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O

Specifications

• CAS: 327-97-9
• Molecular Formula: C16H18O9
• Merck Index: 14,2142
• Solubility Information: Soluble in ethanol and acetone.
• SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O
• Molecular Weight (g/mol): 354.31
• ChEBI: CHEBI:16112
• Physical Form: Powder

• Melting Point: 210°C (decomposition)
• MDL Number: MFCD00003862
• Synonym: chlorogenic acid, 3-caffeoylquinic acid, chlorogenate, 3-o-caffeoylquinic acid, 3-3,4-dihydroxycinnamoyl quinic acid, heriguard, hlorogenic acid, caffeoyl quinic acid, 3-caffeoylquinate, unii-318adp12ri
• InChI Key: CWVRJTMFETXNAD-JUHZACGLSA-N
• IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
• PubChem CID: 1794427
• Formula Weight: 354.31
• Chemical Name or Material: Chlorogenic acid

Safety and Handling

missing translation for 'einecsNumber' : 206-325-6

missing translation for 'rtecsNumber' : GU8480000

missing translation for 'tsca' : No

Recommended Storage : Ambient temperatures

RUO – Research Use Only