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monocaffeyl tartaric acid
(2R,3R)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxysuccinic acid

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Name:(2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
CAS Number: 67879-58-7Picture of molecule3D/inchi
Other(deleted CASRN):72880-50-3
FDA UNII:WCV7W3174L
Nikkaji Web:J323.016C
MDL:MFCD02094177
XlogP3-AA:0.10 (est)
Molecular Weight:312.23144000
Formula:C13 H12 O9
NMR Predictor:Predict (works with chrome or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless crystalline solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 120.00 to 130.00 °C. @ 760.00 mm Hg
Boiling Point: 617.00 to 619.00 °C. @ 760.00 mm Hg
Flash Point: 457.00 °F. TCC ( 236.11 °C. )
logP (o/w): 1.147 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 water, 2.107e+005 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Description:at 100.00 %. odorless
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfa Biotechnology
For experimental / research use only.
Caftaric acid 98%
BOC Sciences
For experimental / research use only.
Caftaric acid >98%
Odor: characteristic
Use: Caftaric acid was reported as an inhibitor of the protein-protein interactions mediated by the Src-family kinases.
Dalton Pharma Services
For experimental / research use only.
Caftaric acid 98%
Sigma-Aldrich: Sigma
For experimental / research use only.
Caftaric acid ≥97.0%
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 22 - Do not breath dust.
S 24/25 - Avoid contact with skin and eyes.
 
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 monocaffeyl tartaric acid usage levels up to:
 not for fragrance use.
 
Recommendation for monocaffeyl tartaric acid flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6440397
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
(2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
Chemidplus:0067879587
 
References:
 (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6440397
Pubchem (sid):135111882
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB13680
FooDB:FDB018772
YMDB (Yeast Metabolome Database):YMDB01646
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 chicory leaf
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 echinacea spp.
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 grape fruit
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 grape fruit juice
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 grape leaf
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 orthosiphon aristatus
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Synonyms:
 butanedioic acid, 2-(3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-3-hydroxy-, (R-(R*,R*-(E)))-
 butanedioic acid, 2-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3-hydroxy-, (2R,3R)-
2-caffeoyl-L-tartaric acid
2-caffeoyl-laevo-tartaric acid
 caftaric acid
 caftaricacid
(R-(R*,R*-(E)))-2-(3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-3-hydroxybutanedioic acid
(2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
(2R,3R)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxysuccinic acid
 
 
Notes:
Caftaric acid is the main hydroxycinnamate in both red and white wines produced from Vitis vinifera and well as Concord grape juice, which is a product of grapes of Vitis lambrusca.
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