2-Ethylcycloheptan-1-one
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Basic information
- CAS
3183-41-3- Standard SMILES
CCC1CCCCCC1=O- InChIKey
NAFAJFUPGSGMJP-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- 2-Ethylcycloheptan-1-one
- IUPAC
- 2-ethylcycloheptan-1-one
- English name
- 2-ethylcycloheptan-1-one
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
2-ethylcycloheptan-1-one2-Ethylcycloheptanone3183-41-3NSC172202-Ethylcycloheptanone #Cycloheptanone,2-ethyl-Cycloheptanone, 2-ethyl-SCHEMBL2691839SCHEMBL6592817SCHEMBL27506614DTXSID80958075DAA18341
Show more names
NSC-17220AKOS011021938DS-010646CS-0243886EN300-269552
Database identifiers
- CAS
3183-41-3、36875-26-0- PubChem CID
- 226593
- DTXSID
DTXSID80958075- EC Number
- 172-891-5
- Nikkaji
- J1.764.334G
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- 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
- 118
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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