2,5-Dimethoxytetrahydrofuran
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Basic information
- CAS
696-59-3- Standard SMILES
COC1CCC(OC)O1- InChIKey
GFISDBXSWQMOND-UHFFFAOYSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Names & identifiers
- Preferred name
- 2,5-Dimethoxytetrahydrofuran
- IUPAC
- 2,5-dimethoxyoxolane
- English name
- 2,5-Dimethoxytetrahydrofuran
- Molecular formula
- C6H12O3
- Molecular weight
- 132.16
Names & synonyms
2,5-Dimethoxytetrahydrofuran696-59-3Furan, tetrahydro-2,5-dimethoxy-Protectol DMT2,5-Dimethoxytetrahydrofuran,c&tNSC 7911EINECS 211-797-1AI3-61757DTXSID10862378EC 211-797-1cis,trans-2,5-DimethoxytetrahydrofuranRefChem:82922
Show more names
DMTHF5-DiMethoxytetrahydrofuranDimethoxytetrahydr2,5-DimethoxytetrahyAtropine Impurity 15
DTXCID60811154GFISDBXSWQMOND-UHFFFAOYSA-N2,5-dimethoxyoxolaneTetrahydro-2,5-dimethoxyfuranDimethoxytetrahydrofuran2.5-dimethoxytetrahydrofuranMFCD000053592,5-dimethoxy-tetrahydrofuran
Database identifiers
- CAS
696-59-3- PubChem CID
- 79098
- DTXSID
DTXSID10862378- UNII
- J9CNJ39HZ2
- EC Number
- 211-797-1
- Nikkaji
- J37.038J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 74.4
Physicochemical properties
- Melting point
- -45 °C · -45 °C
- Boiling point
- 145 · 145-147 °C(lit.)
- Density
- 1.023 g/mL · 1.023 g/mL at 20 °C(lit.)
- vapor pressure
- 5 hPa · 5 hPa (20 °C)
- refractive index
- 20 · n20/D 1.418
- Flash point
- 95 °F · 95 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 300 g/l · 300g/l
- form
- Liquid
- color
- Clear colorless to slightly yellow
- PH
- 5 · 5 (300g/l, H2O, 20℃)
- explosive limit
- 2 · 2.0-12.3%(V)
- Water Solubility
- 350 g/L · 350 g/L (20 ºC)
- Sensitive
- Air & Light Sensitive
- BRN
- 104261 · 104261
- InChI
- 1S/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 190 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Furan, tetrahydro-2,5-dimethoxy-
Status: Active Update: 23-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/31783
2,5-Dimethoxytetrahydrofuran: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29321900
- Toxicity
- LD50 orally in Rabbit: 2040 mg/kg
- risk_code
- 10-36/37/38-36-20/21
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationFuran, tetrahydro-2,5-dimethoxy-: ACTIVE
Applications
Uses2,5-Dimethoxytetrahydrofuran is a tetrahydrofuran derivative that finds application in proteomics research and in organic synthesis. It is also used as an intermediate for atropine sulfate, which is an anticholinergic drug. Further, it acts as a precursor of butanediol. In addition to this, it is used as a photographic hardener and as disinfectant in formulations.
Upstream & downstream products
Upstream raw materials
Related reactions
423 records
Compound notes
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