2,5-Bis[hydroxymethyl]tetrahydrofuran
Properties
- Molecular formula
- C6H12O3
- Molar mass
- 132.16 g/mol
- Exact mass
- 132.0786 Da
- Density
- 1.1544 g/mL (at 25 °C)
- Melting point
- below −50 °C
- Boiling point
- 265 °C
- logP
- -0.48Crippen estimate
- Polar surface area
- 49.7 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritationSkin corrosion/irritation
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
Harmonised EU classification (CLP Annex VI, index 603-062-00-2), via PubChem.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
104-80-3SMILES
OCC1CCC(CO)O1InChIKey
YCZZQSFWHFBKMU-UHFFFAOYSA-NInChI
InChI=1S/C6H12O3/c7-3-5-1-2-6(4-8)9-5/h5-8H,1-4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Hexitol, 2,5-anhydro-3,4-dideoxy-
- 2,5-Furandimethanol, tetrahydro-
- 2,5-Anhydro-3,4-dideoxyhexitol
- Tetrahydro-2,5-furandimethanol
- NSC 40741
- (Tetrahydrofuran-2,5-diyl)dimethanol
- 2,5-Dihydroxymethyltetrahydrofuran
- 2,5-Dihydroxymethyltetrahydrofurane
- [5-(Hydroxymethyl)oxolan-2-yl]methanol
- 2,5-Tetrahydrofurandimethanol
Work with 2,5-Bis[hydroxymethyl]tetrahydrofuran
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
7-Oxabicyclo[2.2.1]heptane279-49-253 % similar
2-Hydroxymethyloxetane61266-70-450 % similar
Glycidol556-52-547 % similar
(+)-Glycidol57044-25-447 % similar
(-)-Glycidol60456-23-747 % similar
(R)-(-)-Tetrahydrofurfuryl alcohol22415-59-445 % similar
Tetrahydrofurfuryl alcohol97-99-445 % similar
2-(Hydroxymethyl)tetrahydropyran100-72-143 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.