5-Octyl-2(5H)-furanone
Basic information
- CAS
17756-68-2- Standard SMILES
CCCCCCCCC1C=CC(=O)O1- InChIKey
BWXCHUAWFSHXMU-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- 5-Octyl-2(5H)-furanone
- IUPAC
- 2-octyl-2H-furan-5-one
- English name
- 5-octylfuran-2(5H)-one
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
5-Octylfuran-2(5H)-one17756-68-25-octyl-2(5H)-furanoneDTXSID50938960RefChem:1073192DTXCID001367475241-746-92-octyl-2H-furan-5-one2(5H)-Furanone, 5-octyl-MFCD00906761EINECS 241-746-958949-91-0
Show more names
5-octyl-5H-furan-2-one(1)-5-Octylfuran-2(5H)-one5-octyl-2,5-dihydrofuran-2-oneEINECS 261-517-7.gamma.-2-dodecenolactoneSCHEMBL2315807CHEMBL5433253AKOS015918512
Database identifiers
- CAS
17756-68-2、58949-91-0- PubChem CID
- 86623
- DTXSID
DTXSID50938960- ChEMBL
CHEMBL5433253- EC Number
- 241-746-9、261-517-7
- Nikkaji
- J287.146G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 316.4 · 316.4±11.0 °C(Predicted)
- Density
- 0.952 · 0.952±0.06 g/cm3(Predicted)
- LogP
- 3.433 · 3.433 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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