Basic information
- CAS
4179-38-8- Standard SMILES
CCCCCCCCc1ccco1- InChIKey
RADIRWIUSSENFC-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Overview
2-octylfuran is a member of the class of furans that is furan substituted by an octyl group at position 2. It has a role as a flavouring agent, a mammalian metabolite, a plant metabolite and a Maillard reaction product.
Names & identifiers
- Preferred name
- 2-Octylfuran
- IUPAC
- 2-octylfuran
- English name
- 2-n-Octylfuran, 98
- Molecular formula
- C12H20O
- Molecular weight
- 180.29
Names & synonyms
2-Octylfuran4179-38-82-n-OctylfuranFuran, 2-octyl-EINECS 224-049-4CHEBI:87592DTXSID801946132nOctylfuran2-Octyl-furanRefChem:88877DTXCID20117104224-049-4
Show more names
2-Octylfurane
RADIRWIUSSENFC-UHFFFAOYSA-N2-N-OCTYLFURAN, 982-octyl furanSCHEMBL1863821SCHEMBL3387052SCHEMBL22129744SCHEMBL27261733AKOS006230673
Database identifiers
- CAS
4179-38-8- PubChem CID
- 77845
- DTXSID
DTXSID80194613- ChEBI
CHEBI:87592- EC Number
- 224-049-4
- Nikkaji
- J47.705B
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Ethers, Other
Flavoring AgentsEU Flavoring substances
Physical DescriptionYellow liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 103 · 103-104 °C(Press: 11 Torr)
- Density
- 0.883 · 0.883±0.06 g/cm3(Predicted)
- FLAVIS Number
- 13.162 · 13.162 | 2-Octylfuran
- LogP
- 5.357 · 5.357 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Furan, 2-octyl-
Regulation (EC) No 1331/2008
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummarySee 2-Propylfuran.
Chemistry & industry
Suppliers7 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: A member of the class of furans that is furan substituted by an octyl group at position 2.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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