2-Ethylcyclopentan-1-one
Basic information
- CAS
4971-18-0- Standard SMILES
CCC1CCCC1=O- InChIKey
PPTKUTYPOKHBTL-UHFFFAOYSA-N- Molecular formula
- C7H12O
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.088815
Names & identifiers
- Preferred name
- 2-Ethylcyclopentan-1-one
- IUPAC
- 2-ethylcyclopentan-1-one
- English name
- 2-Ethylcyclopentanone
- Molecular formula
- C7H12O
- Molecular weight
- 112.17
Names & synonyms
2-Ethylcyclopentanone2-Ethylcyclopentan-1-oneCyclopentanone, 2-ethyl-EINECS 225-612-7NSC 105441RefChem:471922225-612-74971-18-05-EthylcyclopentanoneMFCD0001931461215-75-6NSC105441
Show more names
2-ethyl-1-cyclopentanone2-ETHYLCYCLOPENTANONE 99%
2-ETHYL CYCLOPENTANONEorb3023391SCHEMBL2689519SCHEMBL6589733SCHEMBL11277873SCHEMBL27457986DTXSID001358260ALBB-014713
Database identifiers
- CAS
4971-18-0、61215-75-6- PubChem CID
- 92991
- DTXSID
DTXSID001358260- EC Number
- 225-612-7
- Nikkaji
- J110.424A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 96.6
Physicochemical properties
- Boiling point
- 158 · 158-160 °C
- Density
- 0.9132 g/cm3 · 0.9132 g/cm3(Temp: 17 °C)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Colorless to light yellow Liquid
- optical activity
- Consistent with structure
- EPA Substance Registry System
- 2 · Cyclopentanone, 2-ethyl- (4971-18-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2914290090 · 2914290090
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Cyclopentanone, 2-ethyl-
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2914290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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