(Diethoxymethyl)benzene
Properties
- Molecular formula
- C11H16O2
- Molar mass
- 180.25 g/mol
- Exact mass
- 180.1150 Da
- Density
- 0.9788 g/mL (at 25 °C)
- Melting point
- 260–262 °C
- Boiling point
- 105–115 °C
- logP
- 2.76Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 5
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from 1,430 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
774-48-1SMILES
CCOC(OCC)c1ccccc1InChIKey
MAQMEXSLUSZDQM-UHFFFAOYSA-NInChI
InChI=1S/C11H16O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Benzene, (diethoxymethyl)-
- Benzaldehyde, diethyl acetal
- α,α-Diethoxytoluene
- Diethoxyphenylmethane
- Diethyl benzaldehyde acetal
- Ethyl phenyl acetal
- NSC 287
- 1,1-Diethoxymethylbenzene
Work with (Diethoxymethyl)benzene
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-Bromo-4-(diethoxymethyl)benzene34421-94-861 % similar
3-Bromobenzaldehyde diethyl acetal75148-49-158 % similar
4-(Diethoxymethyl)benzaldehyde81172-89-655 % similar
[2-(1-Ethoxyethoxy)ethyl]benzene2556-10-753 % similar
2-Bromobenzaldehyde diethyl acetal35822-58-353 % similar
cis-2-Phenyl-1,3-dioxan-5-ol4141-19-952 % similar
Benzaldehyde dimethyl acetal1125-88-850 % similar
2-Furfural diethyl acetal13529-27-650 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds