1-(1-Hydroxycyclopentyl)ethan-1-one
Basic information
- CAS
17160-89-3- Standard SMILES
CC(=O)C1(O)CCCC1- InChIKey
PDCCLRAOJRADOX-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- 1-(1-Hydroxycyclopentyl)ethan-1-one
- IUPAC
- 1-(1-hydroxycyclopentyl)ethanone
- English name
- 1-(1-HYDROXY-CYCLOPENTYL)-ETHANONE
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
17160-89-31-(1-hydroxycyclopentyl)ethan-1-oneDTXSID70339839RefChem:1053743DTXCID602909201-(1-Hydroxycyclopentyl)ethanone1-(1-Hydroxy-cyclopentyl)-ethanone1-ACETYLCYCLOPENTANOLMFCD06658286Ethanone, 1-(1-hydroxycyclopentyl)-SCHEMBL2342427PDCCLRAOJRADOX-UHFFFAOYSA-N
Show more names
1-Acetyl-1-hydroxycyclopentane1-(hydroxycyclopentyl)ethan-1-oneMethyl(1-hydroxycyclopentyl) ketone
1-(1-Hydroxycyclopentyl)ethanone #AB1008AKOS006295365SB84855AS-44418DB-031151F228186
Database identifiers
- CAS
17160-89-3- PubChem CID
- 559093
- DTXSID
DTXSID70339839- Nikkaji
- J121.901D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Melting point
- 72 · 72-73 °C
- Boiling point
- 72 °C · 72 °C(Press: 10 Torr)
- Density
- 1.0487 g/cm3 · 1.0487 g/cm3(Temp: 0 °C)
- pka
- 13.28 · 13.28±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2914409000 · 2914409000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2914409000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
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Related reactions
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Compound notes
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