Furfuryl methyl ketone
Basic information
- CAS
6975-60-6- Standard SMILES
CC(=O)Cc1ccco1- InChIKey
IQOJTGSBENZIOL-UHFFFAOYSA-N- Molecular formula
- C7H8O2
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.05242949
Overview
1-(2-Furanyl)-2-propanone is a heteroarene.
Names & identifiers
- Preferred name
- Furfuryl methyl ketone
- IUPAC
- 1-(furan-2-yl)propan-2-one
- English name
- 2-FURYLACETONE
- Molecular formula
- C7H8O2
- Molecular weight
- 124.14
Names & synonyms
2-Furylacetone6975-60-6Furfuryl methyl ketone2-Acetonylfuran1-(2-Furanyl)-2-propanone2-Propanone, 1-(2-furanyl)-1-(furan-2-yl)propan-2-one1-(2-Furyl)-2-propanoneMethyl furfuryl ketone2-Furfuryl methyl ketone(2-Furyl)-2-propanoneFuryl acetone
Show more names
2-FURYL-2-PROPANONE1-(2-Furyl)acetone2-Furylacetone,99%(Furyl-2)-1-propanone-21-(2-furyl)propan-2-one
2-Propanone, 1-(2-furyl)-1-Furyl-2-propanoneFEMA No. 2496SI59VJ54CNEINECS 230-234-0NSC 21607NSC-216071-(2-Furyl)-propan-2-one
Database identifiers
- CAS
6975-60-6- PubChem CID
- 228583
- DTXSID
DTXSID6064535- ChEBI
CHEBI:178479- UNII
- SI59VJ54CN
- EC Number
- 230-234-0
- Nikkaji
- J266.036I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 109
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.074-1.080
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in ether, triacetin
Soluble (in ethanol)
Boiling Point
179.00 to 180.00 °C. @ 760.00 mm Hg
179-180 °C
Melting Point29 °C
Refractive Index1.499-1.505
Physical Description
Solid
Liquid; Aroma suggestive of raddish
Physicochemical properties
- Melting point
- 28 · 28-30°C
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 92.7% (89 of 96) of all reports.
Not Classified
Aggregated GHS information provided per 96 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Propanone, 1-(2-furanyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Propanone, 1-(2-furanyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- risk_code
- 36/37/38-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39-39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Propanone, 1-(2-furanyl)-: INACTIVE
Applications
Description(2-Furyl)-2-propanone has an odor and taste suggestive of radish. This substance is synthesized by heating the α-methyl-p-(α-furyl) glycidic acid ethyl in aqueous NaOH.
OccurrenceReported found in roasted coffee, roasted onion, cooked potato, wheaten bread, fried beef, pork liver, sherry, soybeans and sukiyaki
UsesSuitable for fragrance applications.2-Furylacetone is used as the reactant in the synthesis and transformations of furan derivatives
Preparation methods
PreparationBy heating the α-methyl-β-(α-furyl) glydidic acid ethyl in aqueous NaOH.
Additional notes
DefinitionChEBI: 1-(2-Furanyl)-2-propanone is a heteroarene.
Suppliers
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Related reactions
3 records
Compound notes
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