4-Methyl-2-phenyl-1,3-dioxolane
Properties
- Molecular formula
- C10H12O2
- Molar mass
- 164.20 g/mol
- Exact mass
- 164.0837 Da
- Density
- 1.061–1.071 g/mL
- Boiling point
- 118 °C
- logP
- 2.12Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation25.8% of notifiers
- H319 Causes serious eye irritation25.8% of notifiers
- H335 May cause respiratory irritation25.2% of notifiers
Aggregated from 159 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
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
2568-25-4SMILES
CC1COC(c2ccccc2)O1InChIKey
CDIKGISJRLTLRA-UHFFFAOYSA-NInChI
InChI=1S/C10H12O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- 1,3-Dioxolane, 4-methyl-2-phenyl-
- Benzaldehyde propylene glycol acetal
- 2-Phenyl-4-methyl-1,3-dioxolane
Work with 4-Methyl-2-phenyl-1,3-dioxolane
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
1,3:4,6-Di-O-benzylidene-D-mannitol28224-73-955 % similar
cis-2-Phenyl-1,3-dioxan-5-ol4141-19-952 % similar
(Diethoxymethyl)benzene774-48-150 % similar
Vanillin propylene glycol acetal68527-74-248 % similar
Ethylvanillin propylene glycol acetal68527-76-445 % similar
Benzaldehyde dimethyl acetal1125-88-845 % similar
(+)-Styrene oxide20780-53-445 % similar
(S)-Styrene oxide20780-54-545 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.