2,5-Dimethoxytetrahydrofuran

C₆H₁₂O₃CAS 696-59-3132.16 g/mol

Open in Covalent MOL file

Acetal Ether

Properties

Molecular formula: C₆H₁₂O₃
Molar mass: 132.16 g/mol
Exact mass: 132.0786 Da
Density: 1.022 g/mL (at 20 °C)
Melting point: above 360 °C
Boiling point: 145.7 °C
logP: 0.74Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation27.9% of notifiers
H318 Causes serious eye damage56.3% of notifiers
H319 Causes serious eye irritation42.1% of notifiers
H335 May cause respiratory irritation25.3% of notifiers

Aggregated from 190 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

696-59-3

SMILES

COC1CCC(OC)O1

InChIKey

GFISDBXSWQMOND-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3

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Names and synonyms

7 names

Furan, tetrahydro-2,5-dimethoxy-
Tetrahydro-2,5-dimethoxyfuran
Dimethoxytetrahydrofuran
NSC 7911
2,5-Bis(methyloxy)tetrahydrofuran
2,5-Dimethoxyoxolane
2,5-Dimethoxytetrahydrofurane

Work with 2,5-Dimethoxytetrahydrofuran

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1,3,3-Tetramethoxypropane102-52-353 % similar 1,1,3-Trimethoxypropane14315-97-048 % similar 3-Bromo-1,1-dimethoxypropane36255-44-448 % similar Aminoacetaldehyde dimethyl acetal22483-09-645 % similar 1,1,2-Trimethoxyethane24332-20-545 % similar 2,2-Dimethoxyethanol30934-97-545 % similar 2-Bromo-1,1-dimethoxyethane7252-83-745 % similar Chloroacetaldehyde dimethyl acetal97-97-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 Glyceryl allyl ether123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0

Elsewhere

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