| Melting point |
98-100 °C(lit.) |
| Boiling point |
302.76°C (rough estimate) |
| Density |
1.0404 (rough estimate) |
| refractive index |
1.5180 (estimate) |
| storage temp. |
Sealed in dry,Room Temperature |
| solubility |
methanol: soluble50mg/mL, clear, colorless |
| pka |
4.36±0.10(Predicted) |
| form |
powder to crystal |
| color |
White to Light yellow to Light orange |
| Water Solubility |
Insoluble in water. |
| BRN |
1956835 |
| InChI |
1S/C13H16O2/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15) |
| InChIKey |
BCJIDGDYYYBNNB-UHFFFAOYSA-N |
| SMILES |
OC(=O)C(C1CCCC1)c2ccccc2 |
| CAS DataBase Reference |
3900-93-4(CAS DataBase Reference) |
| FDA UNII |
56T1UCM052 |
| EPA Substance Registry System |
Benzeneacetic acid, .alpha.-cyclopentyl- (3900-93-4) |
| UNSPSC Code |
41116107 |
| NACRES |
NA.24 |
