| Keyword(s): | Drinking Water Chemicals ; Food Contact Chemicals ; Plastic additives |
| Molecule Category | Free-form |
| UNII | ZIA319275I |
| EPA CompTox | DTXSID1027265 |
Structure
| InChI Key | XXMIOPMDWAUFGU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H14O2 |
| Molecular Weight | 118.1 |
| AlogP | 0.53 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 629-11-8 |
| NORMAN SUSDAT | |
| FDA SRS | ZIA319275I |
| PubChem | 12374 |
| ChemSpider | 13839416.0 |
CONTENTS
