CAS Number67879-58-7
SynonymsCaftaric acid; (2R,3R)-2-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3-hydroxysuccinic acid; trans-caftaric acid; (2R,3R)-2-{[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxysuccinic acid
Molecular FormulaC13H12O9
Molecular Weight312.23
Purity98.00%
Density1.7±0.1 g/cm3
Boiling Point618.2±55.0 °C at 760 mmHg
Melting Point124-125ºC
Appearancewhite powder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 67879-58-7 |
| Catalog No. | 2A-9046658 |
| Chinese Name | 单咖啡酰洒石酸 |
| Synonyms | Caftaric acid; (2R,3R)-2-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3-hydroxysuccinic acid; trans-caftaric acid; (2R,3R)-2-{[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxysuccinic acid |
| Molecular Formula | C13H12O9 |
| Molecular Weight | 312.23 |
| Purity | 98.00 |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 618.2±55.0 °C at 760 mmHg |
| Melting Point | 124-125ºC |
| Appearance | white powder |
| Storage Condition | 2-8°C |
| Application | Caftaric acid is a natural compound. |
| PubChem ID | 329749196 |
| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC(C(=O)O)C(O)C(=O)O |
| InChI | InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1 |
| InChI Key | SWGKAHCIOQPKFW-JTNORFRNSA-N |
| Hazard Symbols | transportation |
| Bioactivity | Caftaric acid is a natural product. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Others Natural Products >> Phenylpropanoids References [1]. Chun-Hua Wu, et al. Enhanced production of caftaric acid, chlorogenic acid and cichoric acid in suspension cultures of Echinacea purpurea by the manipulation of incubation temperature and photoperiod. Biochemical Engineering Journal Volume 36, Issue 3, 1 [2]. Trousdale E., Caftaric acid disappearance and conversion to products of enzymic oxidation in grape must and wine. American Journal Of Enology & Viticulture, 1985, 50-56 Chemical & Physical Properties Density 1.7±0.1 g/cm3 Boiling Point 618.2±55.0 °C at 760 mmHg Melting Point 124-125ºC Molecular Formula C13H12O9 Molecular Weight 312.229 Flash Point 236.3±25.0 °C Exact Mass 312.048126 PSA 161.59000 LogP 1.14 Vapour Pressure 0.0±1.9 mmHg at 25°C Index of Refraction 1.694 InChIKey SWGKAHCIOQPKFW-JTNORFRNSA-N SMILES O=C(C=Cc1ccc(O)c(O)c1)OC(C(=O)O)C(O)C(=O)O Storage condition 2-8°C |
| Use of | Caftaric acid is a natural product. Properties Name Caftaric acid Synonym More Synonyms Caftaric acid Biological Activity Description Caftaric acid is a natural product. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Others Natural Products >> Phenylpropanoids References [1]. Chun-Hua Wu, et al. Enhanced production of caftaric acid, chlorogenic acid and cichoric acid in suspension cultures of Echinacea purpurea by the manipulation of incubation temperature and photoperiod. Biochemical Engineering Journal Volume 36, Issue 3, 1 [2]. Trousdale E., Caftaric acid disappearance and conversion to products of enzymic oxidation in grape must and wine. American Journal Of Enology & Viticulture, 1985, 50-56 Chemical & Physical Properties Molecular Formula C13H12O9 Exact Mass 312.048126 PSA 161.59000 Index of Refraction 1.694 InChIKey SWGKAHCIOQPKFW-JTNORFRNSA-N |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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