| Melting point |
61-63°C |
| Boiling point |
158-159 C |
| Density |
1.1109 (rough estimate) |
| refractive index |
1.5020 (estimate) |
| storage temp. |
2-8°C |
| solubility |
Practically insoluble in water, very soluble in methylene chloride, freely soluble in anhydrous ethanol and in methanol. |
| form |
powder |
| pka |
4.75±0.45(Predicted) |
| color |
White to Off-White |
| Water Solubility |
>0.5g/L(temperature not stated) |
| Merck |
14,4388 |
| BCS Class |
2 |
| Major Application |
forensics and toxicology
pharmaceutical (small molecule) |
| InChI |
1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17) |
| InChIKey |
HEMJJKBWTPKOJG-UHFFFAOYSA-N |
| SMILES |
Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1 |
| CAS DataBase Reference |
25812-30-0(CAS DataBase Reference) |
| IARC |
3 (Vol. 66) 1996 |
| EPA Substance Registry System |
Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl- (25812-30-0) |
