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chlorogenic acid methyl ester
3-O-caffeoylquinic acid methyl ester

Supplier Sponsors

Name:methyl (1S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
CAS Number: 123483-19-2Picture of molecule3D/inchi
FDA UNII: E6GC3KV7JK
XlogP3-AA:-0.10 (est)
Molecular Weight:368.33920000
Formula:C17 H20 O9
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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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)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfa Biotechnology
For experimental / research use only.
3-O-Caffeoylquinic acid methyl ester 98%
BOC Sciences
For experimental / research use only.
3-O-Caffeoylquinic acid methyl ester 98%
Odor: characteristic
Use: 3-O-Caffeoylquinic acid methyl ester is a phenylpropanoid belonging a member of Cinnamic acid deriv.
Coompo
For experimental / research use only.
3-O-Caffeoylquinic acid methyl ester from Plants 95%
ExtraSynthese
For experimental / research use only.
Chlorogenic acid methylester (HPLC) ≥95%
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
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.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :9885586
National Institute of Allergy and Infectious Diseases:Data
methyl (1S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
Chemidplus:0123483192
 
References:
 methyl (1S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):9885586
Pubchem (sid):45632527
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
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
 

Articles:

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).
 
Notes:
None found
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