| Keyword(s): | Food Contact Chemicals |
| Molecule Category | Free-form |
| UNII | 69C393R11Z |
| EPA CompTox | DTXSID0041436 |
Structure
| InChI Key | MSXVEPNJUHWQHW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H12O1 |
| Molecular Weight | 88.09 |
| AlogP | 1.17 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 75-85-4 |
| NORMAN SUSDAT | |
| FDA SRS | 69C393R11Z |
| PubChem | 6405 |
| ChemSpider | 6165.0 |
CONTENTS
