5-Ethyl-5-methyloxolan-2-one
Basic information
- CAS
2865-82-9- Standard SMILES
CCC1(C)CCC(=O)O1- InChIKey
MJFDQFVZHVJKFU-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- 5-Ethyl-5-methyloxolan-2-one
- IUPAC
- 5-ethyl-5-methyloxolan-2-one
- English name
- 2(3H)-Furanone,5-ethyldihydro
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
2865-82-95-ethyl-5-methyloxolan-2-oneRefChem:535555962-850-72(3H)-FURANONE,5-ETHYLDIHYDRO5-ethyl-5-methyldihydrofuran-2(3H)-one5-Ethyl-5-methyldihydro-2(3H)-furanone.gamma.-Methyl-.gamma.-caprolactone4-Hydroxy-4-methylhexanoic acid lactone4-Methyl-4-hexanolide2(3H)-Furanone, 5-ethyldihydro-5-methyl-SCHEMBL5670125
Show more names
γ-Methyl-γ-ethylbutyrolactone5-Ethyl-5-methyl-4,5-dihydrofuran-2(3H)-one
MJFDQFVZHVJKFU-UHFFFAOYSA-NDTXSID2013771894-Methyl-4-hydroxyhexanoic acid lactone5-ethyl-5-methyl-tetrahydrofuran-2-one5-ethyldihydro-5-methyl-2(3h)-furanone.gamma.-Methyl-.gamma.-ethylbutyrolactone5-Ethyl-5-methyldihydro-2(3H)-furanone #F87878
Database identifiers
- CAS
2865-82-9- PubChem CID
- 567124
- DTXSID
DTXSID201377189- EC Number
- 962-850-7
- Nikkaji
- J144.862E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 76 · 76-78 °C(Press: 5 Torr)
- Density
- 0.9983 g/cm3 · 0.9983 g/cm3(Temp: 16.5 °C)
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%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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