Basic information
- CAS
42558-01-0- Standard SMILES
CCCCC(O)C1CCCC1=O- InChIKey
DYVAUIYAEICDNS-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067982
Names & identifiers
- Preferred name
- Cyclopentanone, 2-(1-hydroxypentyl)-
- IUPAC
- 2-(1-hydroxypentyl)cyclopentan-1-one
- English name
- 2-(1-hydroxypentyl)cyclopentan-1-one
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
2-(1-Hydroxypentyl)cyclopentan-1-oneCyclopentanone, 2-(1-hydroxypentyl)-42558-01-02-(1-hydroxypentyl)cyclopentanoneEINECS 255-882-1DTXSID3029366RefChem:581031DTXCID709366255-882-12-(1-hydroxypentyl)-cyclopentanoneSCHEMBL9130082-(1-hydroxy-n-pentyl)cyclopentanone
Show more names
Cyclopentanone,2-(1-hydroxypentyl)-
DB-049848NS00031212
Database identifiers
- CAS
42558-01-0- PubChem CID
- 162060
- DTXSID
DTXSID3029366- EC Number
- 255-882-1
- Nikkaji
- J22.897D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 277.7 · 277.7±13.0 °C(Predicted)
- Density
- 1.014 · 1.014±0.06 g/cm3(Predicted)
- pka
- 14.51 · 14.51±0.20(Predicted)
- EPA Substance Registry System
- 2 · Cyclopentanone, 2-(1-hydroxypentyl)- (42558-01-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (25 of 25) of all reports.
Not Classified
Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Cyclopentanone, 2-(1-hydroxypentyl)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclopentanone, 2-(1-hydroxypentyl)-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers2 total
青岛浩海安杰医药科技有限公司156-6622-8711 18639325623 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
21 records
Compound notes
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