Chemical Properties
| Melting point | 209-212°; mp 204-205° (Wakamatsu) |
| alpha | D20 +9.25° (alc); D17 +13.9° (c = 0.75, methanol) |
| Boiling point | 356.07°C (rough estimate) |
| Density | 1.1975 (rough estimate) |
| refractive index | 1.4359 (estimate) |
| storage temp. | -20°C |
| pka | 12.83±0.70(Predicted) |
| Major Application | cleaning products cosmetics food and beverages personal care |
| InChI | 1S/C15H18O6/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1 |
| InChIKey | CCAZWUJBLXKBAY-ULZPOIKGSA-N |
| SMILES | O1[C@@]2([C@@H]3O[C@@H]3[C@@]4([C@]2([C@@H]([C@@H]5OC(=O)[C@H]4[C@@H]5C(=C)C)O)C)O)C1 |
| LogP | 1.380 (est) |
Safety Information
| WGK Germany | WGK 2 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2 |
| Toxicity | LD50 i.p. in female mice: 3.0 mg/kg (Jarboe) |