Furfuryl methyl ether
Basic information
- CAS
13679-46-4- Standard SMILES
COCc1ccco1- InChIKey
GANSPRKOWQQXPE-UHFFFAOYSA-N- Molecular formula
- C6H8O2
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.05242949
Overview
2-(Methoxymethyl)furan is a heteroarene.
Names & identifiers
- Preferred name
- Furfuryl methyl ether
- IUPAC
- 2-(methoxymethyl)furan
- English name
- Furfuryl methyl ether
- Molecular formula
- C6H8O2
- Molecular weight
- 112.13
Names & synonyms
2-(Methoxymethyl)furanFurfuryl methyl ether13679-46-4Furan, 2-(methoxymethyl)-2-Furfuryl methyl etherMethyl furfuryl etherFEMA No. 3159RRM754RXFNEINECS 237-176-5NSC 35554NSC-35554AI3-23506
Show more names
FURFURYL METHYL ETHE2-(methoxymethyl)-fura
DTXSID8065581FURFURYL METHYL ETHER [FHFI]RefChem:607803DTXCID2034382237-176-5Furan, (methoxymethyl)-furfurylmethylether2-(methoxymethyl)uran
Database identifiers
- CAS
13679-46-4- PubChem CID
- 61661
- DTXSID
DTXSID8065581- ChEBI
CHEBI:173377- UNII
- RRM754RXFN
- EC Number
- 237-176-5
- Nikkaji
- J110.439J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 22.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 63.5
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.013-1.019
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; Soluble in ether
Soluble (in ethanol)
Boiling Point
134.00 to 135.00 °C. @ 760.00 mm Hg
134-135 °C
Refractive Index1.454-1.460
Physical DescriptionClear to yellow liquid; Airy, roasted coffee aroma
Physicochemical properties
- Melting point
- 97 °C · 97 °C
- Boiling point
- 132 °C · 132°C (estimate)
- Density
- 1.0163 · 1.0163
- refractive index
- 1.457 · 1.4570 (estimate)
- FEMA
- 3159 · 3159 | FURFURYL METHYL ETHER
- FLAVIS Number
- 13.052 · 13.052 | Furfuryl methyl ether
- Odor
- 1 % · at 1.00 % in dipropylene glycol. roasted coffee
- Odor Type
- coffee
- JECFA Number
- 1520 · 1520
- LogP
- 1.12 · 1.12
- Substances Added to Food (formerly EAFUS)
- FURFURYL METHYL ETHER
- FDA UNII
- 754 RXFN · RRM754RXFN
- EPA Substance Registry System
- 2 · Furan, 2-(methoxymethyl)- (13679-46-4)
- TSCA
- TSCA listed
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Furan, 2-(methoxymethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Furan, 2-(methoxymethyl)-: 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 CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
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 InformationFuran, 2-(methoxymethyl)-: INACTIVE
Applications
DescriptionSynthesis: From furfuryl chloride and potassium methoxide in ether solution.
OccurrenceReported found as a constituent in the aroma of roasted coffee
Preparation methods
PreparationFrom furfuryl chloride and potassium methoxide in ether solution.
Additional notes
DefinitionChEBI: 2-(Methoxymethyl)furan is a heteroarene.
Related reactions
2 records
Compound notes
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