2,5-Dimethyltetrahydrofuran
Basic information
- CAS
1003-38-9- Standard SMILES
CC1CCC(C)O1- InChIKey
OXMIDRBAFOEOQT-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,5-Dimethyltetrahydrofuran
- IUPAC
- 2,5-dimethyloxolane
- English name
- 2,5-DIMETHYLTETRAHYDROFURAN
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
2,5-DIMETHYLTETRAHYDROFURAN1003-38-9Furan, tetrahydro-2,5-dimethyl-2,5-dimethyloxolaneT18L0V4N9IDTXSID10862510NSC-12594RefChem:829782,5-ME2-THFDTXCID10811260213-707-6Tetrahydro-2,5-dimethylfuran
Show more names
2,5-dimethyltetrahydrofuran,mixtureofcisandtrans2,5-Dimethyltetrahydrofura2,5-Dimethyltetrahydrofurane2,5-Dimethyltetrahydrofuran,c&t
MFCD000053692,5-dimethyl-tetrahydro-furan2,5-Dimethyltetrahydrofuran (stabilized with BHT)(Z+E)-2,5-dimethyl tetrahydrofuranEINECS 213-707-6NSC 12594UNII-T18L0V4N9ISCHEMBL27888
Database identifiers
- CAS
1003-38-9- PubChem CID
- 13855
- DTXSID
DTXSID10862510- EC Number
- 213-707-6
- Nikkaji
- J133.069A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 53.2
Experimental & physicochemical properties
SolventsSolvents -> Ethers (<C12)
SpringerMaterials PropertiesBoiling point
LogP1.22
Flavoring AgentsEU Flavoring substances
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -128.9 °C · -128.9°C
- Boiling point
- 90 · 90-92 °C(lit.)
- Density
- 0.833 g/mL · 0.833 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.404(lit.)
- FLAVIS Number
- 13.12 · 13.120 | 2,5-Dimethyltetrahydrofuran
- Flash point
- 80 °F · 80 °F
- storage temp.
- Refrigerator
- Water Solubility
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
H226 (93%): Flammable liquid and vapor [Warning 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 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Furan, tetrahydro-2,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2,5-Dimethyltetrahydrofuran: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay form explosive peroxides; Stabilized with 250-300 ppm butylated hydroxytoluene (BHT); An irritant; Targets the CNS; [Alfa Aesar MSDS] See Tetrahydrofuran
Peroxide Forming Chemical
2,5-Dimethyltetrahydrofuran (DMTHF)
B*: Compounds that form peroxides on concentration (distillation/evaporation)
1 sample, 10 ppm, >1 yrs
Fábos et al.
https://doi.org/10.1021/jo01036a033
Hazard Classes and CategoriesFlam. Liq. 3 (93%)
Safety & protection
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
Toxicology
Chemistry & industry
Uses & manufacturing
UsesUsed as a flavoring agent; [ExPub: EC: EFSA]
Applications
Uses2,5-Dimethyltetrahydrofuran is used in preparation method for Hydrodeoxygenation of Oxygenated compounds to unsaturaded products.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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