Completing data — usually done within a minute
Basic information
- Standard SMILES
Cc1ccoc1- InChIKey
KJRRQXYWFQKJIP-UHFFFAOYSA-N- Molecular formula
- C5H6O
- Average molar mass
- 82.102 g/mol
- Monoisotopic mass
- 82.04186481
Names & identifiers
- Preferred name
- 3-Methylfuran
- IUPAC
- 3-Methylfuran
- English name
- 3-Methylfuran
- Molecular formula
- C5H6O
- Molecular weight
- 82.1
Names & synonyms
Furan, 3-methyl-3-METHYLFURAN3-methyl-fura3-METHYLFURANE3-Methylfuran,98%3-Methylfuran, 98% 1GR3-Methylfuran in methanol3-Methylfuran(stabilizedwithHQ)>3-Methylfuran (stabilized with HQ)3-Methylfuran 100 μg/mL in Methanol
Database identifiers
- CAS
930-27-8- PubChem CID
- 13587
- DTXSID
DTXSID10239228- ChEBI
CHEBI:172946- UNII
- 5R72A0440N
- EC Number
- 618-895-7
- Nikkaji
- J69.806G
Properties
Physicochemical properties
- Melting point
- -94.28 °C · -94.28°C (estimate)
- Boiling point
- 65 · 65-66 °C
- Density
- 0.92 · 0.92
- refractive index
- 1.431 · 1.431-1.433
- Flash point
- -22 °C · -22 °C
- storage temp.
- Refrigerator
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Liquid
- Specific Gravity
- 0.923 · 0.923
- color
- Clear colorless to light yellow
- Henry's Law Constant
- 3.2 · 3.2×10-3 mol/(m3Pa) at 25℃, Wu et al. (2022)
- Stability
- Light sensitive, Very volatile
- InChI
- InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3
- InChIKey
- KJRRQXYWFQKJIP-UHFFFAOYSA-N
- SMILES
- O1C=CC(C)=C1
- LogP
- 2.157 · 2.157 (est)
- CAS DataBase Reference
- 930 · 930-27-8(CAS DataBase Reference)
- FDA UNII
- 5 R72A0440N · 5R72A0440N
- NIST Chemistry Reference
- 3 · Furan, 3-methyl-(930-27-8)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P301+P312-P304+P340+P311
- Hazard Codes
- T-F,T,F,Xn
- Risk Statements
- 23 · 23-11-22-2017/11/13
- Safety Statements
- 45 · 45-38-28A-16-18
- RIDADR
- 1993 · 1993
- WGK Germany
- 3 · 3
- RTECS
- 2630000 · LU2630000
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29321900 · 29321900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 InhalationAcute · Acute Tox. 3 InhalationAcute Tox. 4 Oral
Safety & regulation
Safety data
- wgk
- 3
- rtecs
- LU2630000
- ridadr
- 1993
- hs_code
- 29321900
- risk_code
- 23-11-22-2017/11/13
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T-F,T,F,Xn
- safety_code
- 45-38-28A-16-18
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H302-H331
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 4 Oral
- Precautionary statements
- P261-P264-P270-P271-P301+P312-P304+P340+P311
Chemistry & industry
Applications
Uses3-Methylfuran is a volatile organic compound (VOCs) used as a potential non-intrusive tool for screening of lung cancer.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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常州恒达生物科技有限公司0519-0519-85265229 18015028189
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
Anhuyan (Hainan) Biotechnology Co., LTD+86-18163349544 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Additional notes
DefinitionChEBI: 3-methylfuran is a member of the class of furans that is furan in which the hydrogen at position 3 is replaced by a methyl group. It is a chemical that is produced in foods during food processing and preservation techniques that involve heat treatment such as cooking and pasteurization. It has a role as an environmental contaminant, a fungal metabolite, a plant metabolite, an Aspergillus metabolite and a Penicillium metabolite. It is a member of furans and a volatile organic compound.
Related reactions
2 records
Linked notes
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