chlorogenic acid methyl ester
3-O-caffeoylquinic acid methyl ester
Identification
| Name | chlorogenic acid methyl ester |
| IUPAC | methyl (1S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate |
| CAS Number | 123483-19-2 |
| FDA UNII | E6GC3KV7JK |
| Molecular Formula | C17 H20 O9 |
| Molecular Weight | 368.33920000 |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 577.00 °C. @ 760.00 mm Hg (est) |
| Flash Point | 407.00 °F. TCC ( 208.10 °C. ) (est) |
| logP (o/w) | 0.310 (est) |
| Soluble in | water, 1.407e+005 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for chlorogenic acid methyl ester usage levels up to | not for fragrance use. |
| Recommendation for chlorogenic acid methyl ester flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
3-O-
caffeoyl quinic acid methyl ester
3-O-
caffeoylquinic acid methyl ester
chlorogenic acid methylester
methyl (1S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
methyl (1S,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylate
PubMed:
UFLC/MS-IT-TOF guided isolation of anti-HBV active chlorogenic acid analogues from Artemisia capillaris as a traditional Chinese herb for the treatment of hepatitis.
PubMed:
[Studies on chemical constituents from fruits of Morus alba L].
PubMed:
Bioactive quinic acid derivatives from Ageratina adenophora.
PubMed:
Identification and quantification of free, conjugate and total phenolic compounds in leaves of 20 sweetpotato cultivars by HPLC-DAD and HPLC-ESI-MS/MS.
PubMed:
Neuropharmacological in vivo effects and phytochemical profile of the extract from the aerial parts of Heteropterys brachiata (L.) DC. (Malpighiaceae).
PubMed:
[Study on the chemical constituents of roots and stems of Nardostachys chinensis].
PubMed:
Phenolic compounds from Scorzonera latifolia (Fisch. & Mey.) DC.
PubMed:
Constituents of the flowers of Platycodon grandiflorum with inhibitory activity on advanced glycation end products and rat lens aldose reductase in vitro.
PubMed:
Two new 3-benzylphthalides from Scorzonera veratrifolia Fenzl.
PubMed:
Polyphenolic profile and bioactivity study of Oenothera speciosa Nutt. aerial parts.
PubMed:
Inhibiting activities of the secondary metabolites of Phlomis brunneogaleata against parasitic protozoa and plasmodial enoyl-ACP Reductase, a crucial enzyme in fatty acid biosynthesis.
PubMed:
Novel antioxidant compounds from tart cherries (Prunus cerasus).