Basic information
- CAS
25586-38-3- Standard SMILES
Cc1cc2ccccc2o1- InChIKey
GBGPVUAOTCNZPT-UHFFFAOYSA-N- Molecular formula
- C9H8O
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.05751487
Overview
2-Methylcumarone is a member of benzofurans.
Names & identifiers
- Preferred name
- 2-Methylbenzofuran
- IUPAC
- 2-methyl-1-benzofuran
- English name
- 2-Methylcumarone
- Molecular formula
- C9H8O
- Molecular weight
- 132.16
Names & synonyms
2-METHYLBENZOFURAN2-Methyl-1-benzofuran2-Methylcumarone2-Methylbenzo[b]furanUNII-8X3183BZ3XEINECS 224-249-1FEMA NO. 4543DTXSID408633538X3183BZ3XAI3-112402-METHYLBENZO(B)FURANRefChem:88263
Show more names
2-Methylcoumaron2-Methylcoumarone-Methylbenzofuranα-MethylbenzofuranRARECHEM AM LA 0019Glycerol Impurity 71
2-Methyl benzo(b)furanDTXCID90811985224-249-1GBGPVUAOTCNZPT-UHFFFAOYSA-NInChI=1/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H4265-25-2Benzofuran, 2-methyl-2-methyl-benzofuran
Database identifiers
- CAS
25586-38-3、4265-25-2- PubChem CID
- 20263
- DTXSID
DTXSID40863353- ChEBI
CHEBI:89722- UNII
- 8X3183BZ3X
- EC Number
- 224-249-1
- Nikkaji
- J28.172G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP3.22
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.052-1.057
Solubility
Practically insoluble to insoluble in water
Soluble (in ethanol)
Boiling Point197-198 °C
Refractive Index1.548-1.560
Physical DescriptionColourless liquid; Burnt phenolic aroma
Physicochemical properties
- Melting point
- 161 °C · 161 °C
- Boiling point
- 197 · 197-198 °C (lit.)
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
This chemical does not meet GHS hazard criteria for 50% (3 of 6) of reports.
Warning
H227 (33.3%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (33.3%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- hs_code
- 29329990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H227
- Precautionary statements
- P210-P264-P270-P280-P301+P312-P330-P370+P378-P403+P235-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Applications
Uses2-Methylbenzofuran can be used as a reactant to synthesize enol derivatives via catalytic oxidation by hydrogen peroxide.
General Description2-Methylbenzofuran has been quantitated in water sample by the headspace solid-phase microextraction (SPME) coupled with gas chromatography-mass spectrometry (GC-MS).
Upstream & downstream products
Upstream raw materials
Additional notes
2-Methylcumarone is a member of benzofurans.
Related reactions
12 records
Compound notes
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