Basic information
- CAS
3777-70-6- Standard SMILES
CCCCCCc1ccco1- InChIKey
XBLCAKKYMZVLPU-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
2-hexylfuran is a member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a hexyl group. It has a role as a volatile oil component, a flavouring agent, a mammalian metabolite and a human metabolite.
Names & identifiers
- Preferred name
- 2-Hexylfuran
- IUPAC
- 2-hexylfuran
- English name
- 2-HEXYLFURAN
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
2-Hexylfuran3777-70-62-n-HexylfuranFuran, 2-hexyl-2-Hexyl-FuranSXY8B84U4GEINECS 223-235-2CHEBI:171966DTXSID101912162-hexyl furanRefChem:87310DTXCID20113707
Show more names
HexylfuranHEXYLFURAN, 2-N-
223-235-2XBLCAKKYMZVLPU-UHFFFAOYSA-NMFCD000531342-hexyluranUNII-SXY8B84U4GSCHEMBL263464SCHEMBL499995SCHEMBL499996
Database identifiers
- CAS
3777-70-6- PubChem CID
- 77408
- DTXSID
DTXSID10191216- ChEBI
CHEBI:171966- UNII
- SXY8B84U4G
- EC Number
- 223-235-2
- Nikkaji
- J45.623C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 90.9
Physicochemical properties
- Boiling point
- 76 · 76-78 °C(Press: 15 Torr)
- Density
- 0.9014 g/cm3 · 0.9014 g/cm3
- LogP
- 4.338 · 4.338 (est)
- CAS DataBase Reference
- 3777 · 3777-70-6
- FDA UNII
- 8 B84U4G · SXY8B84U4G
- Symbol(GHS)
- 2 · GHS02,GHS06
- Hazard statements
- 226 · H226-H301
- Precautionary statements
- 210 · P210-P280a-P301+P310a-P303+P361+P353-P405-P501a
- RIDADR
- 1993 · UN1993
- HazardClass
- 3 · 3
- PackingGroup
- III
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationRegulation (EC) No 1331/2008
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- UN1993
- Symbol(GHS)
- GHS02,GHS06
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H301
- Precautionary statements
- P210-P280a-P301+P310a-P303+P361+P353-P405-P501a
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers15 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
2 records
Compound notes
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