Basic information
- Standard SMILES
CC(=O)CCCO- InChIKey
JSHPTIGHEWEXRW-UHFFFAOYSA-N- Molecular formula
- C5H10O2
- Average molar mass
- 102.13 g/mol
Overview
5-hydroxypentan-2-one is a methyl ketone that is pentan-2-one carrying a hydroxy group at position 5. It has a role as a bacterial metabolite. It is a primary alcohol, a pentanone and a methyl ketone.
Names & identifiers
- Preferred name
- 5-Hydroxy-2-pentanone
- IUPAC
- 5-hydroxypentan-2-one
- English name
- 3-Acetopropanol-d4
- Molecular formula
- C5H10O2
- Molecular weight
- 102.13
Names & synonyms
Show more names
Database identifiers
- CAS
1215544-11-8- ChEBI
CHEBI:195472- EC Number
- 213-994-8
- Nikkaji
- J35.474K
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 59.1
Experimental & physicochemical properties
Physicochemical properties
- solubility
- Chloroform, Dichloromethane, Methanol
- form
- Oil
- color
- Brown
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 97.3% (72 of 74) of all reports.
Not Classified
Aggregated GHS information provided per 74 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazards Summary
Causes diffuse hepatitis and somnolence in oral lethal-dose studies of mice; Causes 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.
Toxicology
Chemistry & industry
Applications
UsesSubstrate for alcohol dehydrogenase
Suppliers3 total
Related reactions
No reaction records under the current filter.
Linked notes
Loading…