3-(Tert-butyl)cyclopentanone
Basic information
- CAS
5581-94-2- Standard SMILES
CC(C)(C)C1CCC(=O)C1- InChIKey
YNZLLBXTQLRISL-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- 3-(Tert-butyl)cyclopentanone
- IUPAC
- 3-tert-butylcyclopentan-1-one
- English name
- 3-(tert-Butyl)cyclopentanone
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
3-(TERT-BUTYL)CYCLOPENTANONE5581-94-2DTXSID10311755RefChem:275984DTXCID102628793-tert-butylcyclopentan-1-one3-tert-Butyl-cyclopentanoneCyclopentanone, 3-(1,1-dimethylethyl)-NSC2451434-t-butylcyclopentanone3-tert-butylcyclopentanoneSCHEMBL401756
Show more names
3-tert-butyl-cyclopentan-1-one3-(tert-butyl)cyclopentan-1-oneYNZLLBXTQLRISL-UHFFFAOYSA-NMFCD13562929AKOS005264840NSC-245143
Database identifiers
- CAS
5581-94-2- PubChem CID
- 316769
- DTXSID
DTXSID10311755- Nikkaji
- J494.927G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 200 · 200-201 °C
- Density
- 0.9031 g/cm3 · 0.9031 g/cm3
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
6 records
Compound notes
Loading…