4-Methyl-1,3-dioxane
Properties
- Molecular formula
- C5H10O2
- Molar mass
- 102.13 g/mol
- Exact mass
- 102.0681 Da
- Density
- 0.9758 g/mL (at 20 °C)
- Melting point
- −44.5 °C
- Boiling point
- 114 °C
- logP
- 0.77Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation93.3% of notifiers
- H319 Causes serious eye irritation93.3% of notifiers
- H335 May cause respiratory irritation91.1% of notifiers
Aggregated from 45 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, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
1120-97-4SMILES
CC1CCOCO1InChIKey
INCCMBMMWVKEGJ-UHFFFAOYSA-NInChI
InChI=1S/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 1,3-Dioxane, 4-methyl-
- m-Dioxane, 4-methyl-
- 4-Methyl-m-dioxane
- NSC 292
Work with 4-Methyl-1,3-dioxane
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
2-Methyltetrahydrofuran96-47-948 % similar
P1239003-11-642 % similar
Diisoamyl ether544-01-439 % similar
(+)-Propylene oxide15448-47-236 % similar
(2S)-2-Methyloxirane16088-62-336 % similar
Propylene oxide75-56-936 % similar
4-Phenyl-1,3-dioxane772-00-935 % similar
2-Methyl-tetrahydro-pyran-4-ol89791-47-934 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.