Basic information
- CAS
1703-52-2- Standard SMILES
CCc1ccc(C)o1- InChIKey
NBXLPPVOZWYADY-UHFFFAOYSA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
- Monoisotopic mass
- 110.07316494
Overview
2-ethyl-5-methylfuran is a member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by ethyl and methyl groups, respectively. It has a role as a flavouring agent, a mouse metabolite, a plant metabolite, a fungal metabolite and a human urinary metabolite.
Names & identifiers
- Preferred name
- 2-Ethyl-5-methylfuran
- IUPAC
- 2-ethyl-5-methylfuran
- English name
- 2-ETHYL-5-METHYL FURAN
- Molecular formula
- C7H10O
- Molecular weight
- 110.15
Names & synonyms
2-Ethyl-5-methylfuran1703-52-2Furan, 2-ethyl-5-methyl-2-Methyl-5-ethylfuran2-ethyl-5-methyl furan2-Ethyl-5-methyl-furanfuran, 2-methyl, 5-ethyl2-Methyl-5-ethylfuranePG4BLD3EJIMFCD00053126EINECS 216-937-5UNII-PG4BLD3EJI
Show more names
SCHEMBL1446115-METHYL-2-ETHYLFURANorb3029162SCHEMBL3534364SCHEMBL5612315SCHEMBL11577703SCHEMBL18205260CHEBI:88617
Database identifiers
- CAS
1703-52-2- PubChem CID
- 74346
- DTXSID
DTXSID80168839- ChEBI
CHEBI:88617- UNII
- PG4BLD3EJI
- EC Number
- 216-937-5
- Nikkaji
- J45.571G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.8
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Ethers, Other
Flavoring AgentsEU Flavoring substances
Boiling Point118.00 to 119.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Boiling point
- 117 · 117-118 °C(lit.)
- Density
- 0.893 g/mL · 0.893 g/mL at 25 °C(lit.)
- FLAVIS Number
- 13.125 · 13.125 | 2-Ethyl-5-methylfuran
- refractive index
- 20 · n20/D 1.447(lit.)
- Flash point
- 7 °C · 7 °C
- storage temp.
- 2 · 2-8°C
- Odor
- 0.1 % · at 0.10 % in propylene glycol. fresh gassy burnt
- Odor Type
- gassy
- LogP
- 2.34 · 2.340 (est)
- FDA UNII
- 4 BLD3EJI · PG4BLD3EJI
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Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazards SummaryHighly flammable; May cause irritation; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS] See Furan.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- ridadr
- 1993
- risk_code
- 11-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 16-36
- hazard_class
- 3.1
- packing_group
- II
- Hazard statements
- H225-H302-H332
- Precautionary statements
- P210
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers24 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]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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