| Keyword(s): | Plastic additives ; Drinking Water Chemicals ; Food Contact Chemicals |
| Molecule Category | Free-form |
| UNII | PV86I2WZMZ |
| EPA CompTox | DTXSID5049574 |
Structure
| InChI Key | ROOPEIGRBDVOKP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H22O |
| Molecular Weight | 206.17 |
| AlogP | 4.42 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 31291-60-8 |
| NORMAN SUSDAT | |
| FDA SRS | PV86I2WZMZ |
| PubChem | 22236717 |
CONTENTS
