| Keyword(s): | Food Contact Chemicals ; Plastic additives ; Human Metabolites ; Surfactants |
| Molecule Category | Free-form |
| UNII | 89V4LX791F |
| EPA CompTox | DTXSID7021946 |
Structure
| InChI Key | MWKFXSUHUHTGQN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H22O1 |
| Molecular Weight | 158.17 |
| AlogP | 3.12 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 112-30-1 |
| NORMAN SUSDAT | |
| FDA SRS | 89V4LX791F |
| PubChem | 8174 |
| ChemSpider | 7882.0 |
CONTENTS
