4-Phenyl-1,3-dioxane
Properties
- Molecular formula
- C10H12O2
- Molar mass
- 164.20 g/mol
- Exact mass
- 164.0837 Da
- Density
- 1.101 g/mL (at 25 °C)
- Boiling point
- 247 °C
- logP
- 2.12Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed88.9% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
772-00-9SMILES
c1ccc(C2CCOCO2)cc1InChIKey
RCJRILMVFLGCJY-UHFFFAOYSA-NInChI
InChI=1S/C10H12O2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-5,10H,6-8H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 1,3-Dioxane, 4-phenyl-
- m-Dioxane, 4-phenyl-
- 4-Phenyl-m-dioxane
- (±)-4-Phenyl-m-dioxane
- (±)-4-Phenyl-1,3-dioxane
- NSC 406730
Reactions
Work with 4-Phenyl-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
(+)-Styrene oxide20780-53-450 % similar
(S)-Styrene oxide20780-54-550 % similar
Styrene oxide96-09-350 % similar
Phenylcyclopropane873-49-439 % similar
γ-Phenyl-γ-butyrolactone1008-76-039 % similar
(R)-(-)-2-Methoxy-2-phenylethanol17628-72-737 % similar
(Diethoxymethyl)benzene774-48-136 % similar
Benzyl isopentyl ether122-73-636 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds