Acrolein acetal
Properties
- Molecular formula
- C7H14O2
- Molar mass
- 130.19 g/mol
- Exact mass
- 130.0994 Da
- Melting point
- 120–124 °C
- Boiling point
- 123.5 °C
- logP
- 1.57Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 5
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H319 Causes serious eye irritation27.1% of notifiers
Aggregated from 188 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, P501
Identifiers
CAS number
3054-95-3SMILES
C=CC(OCC)OCCInChIKey
MCIPQLOKVXSHTD-UHFFFAOYSA-NInChI
InChI=1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 3,3-Diethoxy-1-propene
- 1-Propene, 3,3-diethoxy-
- Acrylylaldehyde diethyl acetal
- NSC 60135
- Acrolein, diethyl acetal
- Propene, 3,3-diethoxy-
- 1,1-Diethoxy-2-propene
- Propenal diethyl acetal
- Acrylaldehyde diethyl acetal
- 3,3-Diethoxypropene
Reactions
Work with Acrolein acetal
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-Ethenyl-1,3-dioxolane3984-22-357 % similar
1,1-Diethoxy-2-butene10602-34-350 % similar
3,9-Divinyl-2,4,8,10-tetraoxaspiro[5.5]undecane78-19-350 % similar
3,3-Dimethoxy-1-propene6044-68-443 % similar
Triethyl orthoformate122-51-043 % similar
1,1-Diethoxy-2-hexene54306-00-243 % similar
1,1-Diethoxyethane105-57-739 % similar
1,1,3,3-Tetraethoxypropane122-31-639 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds