104870-56-6
| Name | (+)-ISOPULEGOL |
| CAS | 104870-56-6 |
| Molecular Formula | C10H18O |
| MDL Number | MFCD00213790 |
| Molecular Weight | 154.25 |
| MOL File | 104870-56-6.mol |
Chemical Properties
| Boiling point | 91 °C12 mm Hg(lit.) |
| density | 0.912 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | 172 °F |
| storage temp. | Store at -20°C |
| solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| form | neat |
| pka | 15.11±0.60(Predicted) |
| Optical Rotation | [α]20/D +22°, neat |
| BRN | 4659691 |
| Major Application | food and beverages |
| InChI | 1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1 |
| InChIKey | ZYTMANIQRDEHIO-AEJSXWLSSA-N |
| SMILES | C[C@H]1CC[C@@H]([C@@H](O)C1)C(C)=C |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | NA 1993 / PGIII |
| WGK Germany | 3 |
| F | 10-23 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |