2,5-Diethyltetrahydrofuran
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Basic information
- CAS
41239-48-9- Standard SMILES
CCC1CCC(CC)O1- InChIKey
YKWLEIXVUHRKEF-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Overview
2,5-Diethyltetrahydrofuran is a member of oxolanes.
Names & identifiers
- Preferred name
- 2,5-Diethyltetrahydrofuran
- IUPAC
- 2,5-diethyloxolane
- English name
- 2,5-DIETHYLTETRAHYDROFURAN
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
2,5-Diethyltetrahydrofuran2,5-diethyloxolaneFuran, 2,5-diethyltetrahydro-FEMA No. 3743EINECS 255-274-6UNII-4L4S1F79CT2,5-Diethyltetrahydro-Furan4L4S1F79CT2,5-DiethyltetrahydrofuraneFEMA 3743DTXSID708660392,5-DIETHYLTETRAHYDROFURAN [FHFI]
Show more names
RefChem:82837Furan, 2,5diethyltetrahydroDTXCID40814380255-274-6YKWLEIXVUHRKEF-UHFFFAOYSA-N41239-48-92,5-diethyl tetrahydrofuranSCHEMBL872855
Database identifiers
- CAS
41239-48-9- PubChem CID
- 62913
- DTXSID
DTXSID70866039- ChEBI
CHEBI:195849- UNII
- 4L4S1F79CT
- EC Number
- 255-274-6
- Nikkaji
- J89.403F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 70.6
Experimental & physicochemical properties
SolventsSolvents -> Ethers (<C12)
FragrancesFragrance Ingredient (2,5-Diethyltetrahydrofuran) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.827-0.833
Flavoring AgentsEU Flavoring substances
Solubility
slightly
Soluble in oils; Insoluble in water
Soluble (in ethanol)
Boiling Point
116.00 °C. @ 760.00 mm Hg
116 °C
Refractive Index1.401-1.407
Physical Description
Liquid
Colourless liquid; Powerful diffusive sweet-herbaceous carmellic aroma
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
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 113 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Furan, 2,5-diethyltetrahydro-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Furan, 2,5-diethyltetrahydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses tearing and diarrhea in oral lethal-dose studies of rats; [RTECS] Safe when used as a flavoring agent in food; [JECFA] See Tetrahydrofuran.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- Hazard statements
- H225
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationFuran, 2,5-diethyltetrahydro-: ACTIVE
Applications
OccurrenceReported found in mint, origanum and lemon balm (Melissa officinalis L.)
Uses2,5-Diethyltetrahydrofuran can be used in analytical and biological studies for enhanced resolution of Mentha piperita volatile fraction using a novel medium-polarity ionic liquid gas chromatography stationary phase.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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