1740-19-8
| Name | DEHYDROABIETIC ACID |
| CAS | 1740-19-8 |
| EINECS(EC#) | 217-102-8 |
| Molecular Formula | C20H28O2 |
| MDL Number | MFCD00045343 |
| Molecular Weight | 300.44 |
| MOL File | 1740-19-8.mol |
Chemical Properties
| Melting point | 174-176℃ |
| Boiling point | 394.13°C (rough estimate) |
| density | 1.058 |
| refractive index | 1.5404 (estimate) |
| storage temp. | ?20°C |
| solubility | DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 10 mg/ml |
| form | A solid |
| pka | 4.66±0.40(Predicted) |
| color | White to yellow |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| Cosmetics Ingredients Functions | ANTIOXIDANT |
| InChI | InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1 |
| InChIKey | NFWKVWVWBFBAOV-UHFFFAOYSA-N |
| SMILES | [C@@]1(C)(C(O)=O)[C@@]2([H])[C@@](C)(C3=C(CC2)C=C(C(C)C)C=C3)CCC1 |
| LogP | 6.120 (est) |
| EPA Substance Registry System | Dehydroabietic acid (1740-19-8) |
Safety Data
| Symbol(GHS) |   GHS06,GHS09 |
| Signal word | Danger |
| Hazard statements | H301-H410 |
| Precautionary statements | P273-P301+P310+P330 |
| Hazard Codes | T,N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 1 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| HS Code | 29161900 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 |