HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Hydroxy-2-pentanone
3-Acetopropanol-d4 · 3-Acetyl-1-propanol-d4 · γ-Acetopropyl-d4 Alcohol · 1-Hydroxy-4-pentanone-d4
Identifiers & Physical Properties
| CAS No. | 1215544-11-8 |
|---|---|
| Molecular formula | C5H10O2 |
| Average molar mass | 102.13 g/mol |
| SMILES | CC(=O)CCCO |
| InChIKey | JSHPTIGHEWEXRW-UHFFFAOYSA-N |
| ChEBI | CHEBI:195472 |
| EC No. | 213-994-8 |
Chemical & Physical Properties
| XLogP | -0.4 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 59.1 |
| Solvents | Solvents -> Other Solvents |
| SpringerMaterials Properties | Optical coefficient |
| Physical Description | Colorless liquid[Sigma-Aldrich MSDS] |
| Solubility | Chloroform, Dichloromethane, Methanol |
| Physical state | Oil |
| Color | Brown |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 97.3% (72 of 74) of all reports.Not ClassifiedAggregated GHS information provided per 74 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazards summary | Causes diffuse hepatitis and somnolence in oral lethal-dose studies of miceCauses abnormal liver function tests, changes in recordings from peripheral motor nerve, weight loss, degenerative changes to brain, and optic nerve neuropathy in repeated-dose inhalation studies of rats[RTECS] May cause irritation[Sigma-Aldrich MSDS] See Diacetone alcohol. |
| Hazard Classes and Categories | Not Classified |
| Adverse effects | Neurotoxin - Acute solvent syndrome |
| Toxicity Data | LC (rat) > 2,000 mg/m3/4hr |
Applications & Uses
Uses
Substrate for alcohol dehydrogenase