2-Phenyl-1,3-dioxane-5,5-dimethanol

C₁₂H₁₆O₄CAS 2425-41-4224.26 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₁₂H₁₆O₄
Molar mass: 224.26 g/mol
Exact mass: 224.1049 Da
Melting point: 133 °C
logP: 0.70Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

2425-41-4

SMILES

OCC1(CO)COC(c2ccccc2)OC1

InChIKey

DHWCGYXHBIWIPM-UHFFFAOYSA-N

InChI

InChI=1S/C12H16O4/c13-6-12(7-14)8-15-11(16-9-12)10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

1,3-Dioxane-5,5-dimethanol, 2-phenyl-
m-Dioxane-5,5-dimethanol, 2-phenyl-
Benzaldehyde monopentaerythritol acetal
5,5-Bis(hydroxymethyl)-2-phenyl-1,3-dioxane
NSC 48280
(5-Hydroxymethyl-2-phenyl-[1,3]dioxan-5-yl)methanol
Mono-O-benzylidinepentaerythritol
(2-Phenyl-1,3-dioxane-5,5-diyl)dimethanol

Reactions

MONOBENZALPENTAERYTHRITOL (m-Dioxane-5,5-dimethanol, 2-phenyl-)product

Work with 2-Phenyl-1,3-dioxane-5,5-dimethanol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(Diethoxymethyl)benzene774-48-147 % similar 1,3:4,6-Di-O-benzylidene-D-mannitol28224-73-939 % similar 4-Methyl-2-phenyl-1,3-dioxolane2568-25-439 % similar Benzaldehyde dimethyl acetal1125-88-838 % similar 2-Phenyl-1,3-propanediol1570-95-238 % similar (+)-Styrene oxide20780-53-438 % similar (S)-Styrene oxide20780-54-538 % similar Styrene oxide96-09-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Hydroxy-4′-(2-hydroxyethoxy)-2-methylpropiophenone106797-53-9 Ethyl 3,4-dimethoxybenzeneacetate18066-68-7 Pogostone23800-56-8 3,4-Diethoxybenzeneacetic acid38464-04-9 1,3-Adamantanedicarboxylic acid39269-10-8 Olivetolic acid491-72-5 Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate61292-90-8 Ethylvanillin propylene glycol acetal68527-76-4

Elsewhere

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