| Keyword(s): | Plastic additives ; Food Contact Chemicals ; Surfactants ; Human Neurotoxin |
| Molecule Category | Free-form |
| UNII | J89TKQ5R54 |
| EPA CompTox | DTXSID8044676 |
Structure
| InChI Key | SFNALCNOMXIBKG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H30O2 |
| Molecular Weight | 230.22 |
| AlogP | 3.92 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 13.0 |
| Polar Surface Area | 29.46 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4536-30-5 |
| NORMAN SUSDAT | |
| FDA SRS | J89TKQ5R54 |
| PubChem | 24750 |
| ChemSpider | 23140.0 |
CONTENTS
