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Caftaric acid · CAS 67879-58-7 · C13H12O9. UNII WCV7W3174L. Boiling Point: 618.2 °C at 760 mmHg; Melting Point: 125 °C.
| CAS Registry Number | 67879-58-7 |
|---|---|
| PubChem CID | 6440397 |
| Molecular formula | C13H12O9 |
| IUPAC name | (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid |
| UNII (FDA) | WCV7W3174L |
| Molecular Weight | 312.23 |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 312.04813196 |
| Monoisotopic Mass | 312.04813196 |
| Topological Polar Surface Area | 162 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Boiling Point | 618.2 °C at 760 mmHg |
|---|---|
| Melting Point | 125 °C |
| GHS notification summary | 100% (2 / 2) |
|---|
| GHS notification summary | 100% (2 / 2) |
|---|
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.
caftaric acid; 67879-58-7; WCV7W3174L; (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid; DTXSID3036866; (2R,3R)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic acid; Butanedioic acid, 2-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-3-hydroxy-, (2R,3R)-; (2R,3R)-2-(((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy)-3-hydroxybutanedioic acid; (2R,3R)-2-((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy-3-hydroxybutanedioic acid; RefChem:122671; DTXCID50819886; 614-155-2; trans-caftaric acid; Caffeoyltartaric acid; MFCD02094177; Caftaric acid , HPLC Grade
CAS 67879-58-7; molecular formula C13H12O9; molecular weight — g/mol.
caftaric acid, 67879-58-7, WCV7W3174L, (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid, DTXSID3036866, (2R,3R)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic acid.
100% of GHS notifications report no hazard classification (2 of 2).
Boiling Point: 618.2 °C at 760 mmHg; Melting Point: 125 °C.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.