3-Ethylcyclohex-2-en-1-one
Basic information
- CAS
17299-34-2- Standard SMILES
CCC1=CC(=O)CCC1- InChIKey
UORVPNKUEOFRLW-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 3-Ethylcyclohex-2-en-1-one
- IUPAC
- 3-ethylcyclohex-2-en-1-one
- English name
- 3-ethylcyclohex-2-enone
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
3-ethylcyclohex-2-en-1-one17299-34-2DTXSID90286058RefChem:279256DTXCID50237208890-629-43-ethylcyclohex-2-enone3-Ethyl-2-cyclohexen-1-one2-Cyclohexen-1-one,3-ethyl-MFCD208820822-Cyclohexen-1-one, 3-ethyl-NSC43635
Show more names
UORVPNKUEOFRLW-UHFFFAOYSA-N
3-ethyl-2-cyclohexenoneSCHEMBL3938297SCHEMBL11620027SCHEMBL11622175SAA29934NSC-43635AKOS014505647A10067
Database identifiers
- CAS
17299-34-2- PubChem CID
- 238965
- DTXSID
DTXSID90286058- EC Number
- 890-629-4
- Nikkaji
- J455.697F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 159 · 159-161 °C
- Boiling point
- 73 · 73-75 °C(Press: 1-2 Torr)
- Density
- 0.942 · 0.942±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
1 records
Compound notes
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