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4-Methyl-4-phenyl-1,3-dioxane

4-Methyl-4-phenyl-1,3-dioxane structure

CAS No:
1200-73-3
Formula:
C11H14O2
Chemical Name:
4-Methyl-4-phenyl-1,3-dioxane
Synonyms:
1,3-Dioxane,4-methyl-4-phenyl-;m-Dioxane,4-methyl-4-phenyl-;4-Methyl-4-phenyl-1,3-dioxane;4-Methyl-4-phenyl-m-dioxane;NSC 345693

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4-Methyl-4-phenyl-1,3-dioxane Basic Attributes

Molecular Weight：

Exact Mass：

178.23

EC Number：

214-854-9

NSC Number：

345693

HScode：

2934999090

Characteristics

PSA：

18.46000

XLogP3：

2.29620

Density：

1.0864 g/cm³ @ Temp: 20 °C

Melting Point：

37.5 °C

Boiling Point：

256 °C

Flash Point：

113.8ºC

Refractive Index：

1.5240 (estimate)

Vapor Pressure：

0.0216mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

4-methyl-4-phenyl-1,3-dioxane

Computed Properties

Molecular Weight:178.23
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:18.5
Heavy Atom Count:13
Complexity:164
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Methyl-4-phenyl-1,3-dioxane

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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