| Keyword(s): | Food Contact Chemicals |
| Molecule Category | Free-form |
| UNII | J2G84H29AF |
| EPA CompTox | DTXSID4021927 |
Structure
| InChI Key | ZPVFWPFBNIEHGJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O1 |
| Molecular Weight | 128.12 |
| AlogP | 2.55 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 111-13-7 |
| NORMAN SUSDAT | |
| FDA SRS | J2G84H29AF |
| PubChem | 8093 |
| ChemSpider | 7802.0 |
CONTENTS
