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505-22-6

505-22-6 Structure

505-22-6 Structure
IdentificationBack Directory
[Name]

1,3-DIOXANE
[CAS]

505-22-6
[Synonyms]

M-DIOXANE
1,3-DIOXANE
meta-dioxane
dihydro-m-dioxi
1,3-DIOXANE(M-)
1,3-Dioxane,97%
1,3-Dioxane 97%
m-Dioxin, dihydro-
Trimethylene formal
1,3-Dioxacyclohexane
1,3-propanediolformal
1,3-DIOXANE (M-) 98+%
1,3-Propanediol formal
Trimethylene methylene dioxide
FORMALDEHYDE TRIMETHYLENE ACETAL
trimethyleneglycolmethyleneether
[EINECS(EC#)]

208-005-1
[Molecular Formula]

C4H8O2
[MDL Number]

MFCD00006566
[MOL File]

505-22-6.mol
[Molecular Weight]

88.11
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

−45 °C(lit.)
[Boiling point ]

105-106 °C(lit.)
[density ]

1.032 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.418(lit.)
[Fp ]

59 °F
[storage temp. ]

Flammables area
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Stability:]

Stable. Flammable. Incompatible with oxidizing agents. May form explosive peroxides in contact with the air-store under inert gas.
[Water Solubility ]

Fully miscible in water.
[Specific Heat Capacity]

Cp(liquid):143.9J/(g·K),at 25℃
[BRN ]

102532
[Henry's Law Constant]

1.8×100 mol/(m3Pa) at 25℃, O'Farrell and Waghorne (2010)
[InChI]

InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2
[InChIKey]

VDFVNEFVBPFDSB-UHFFFAOYSA-N
[SMILES]

O1CCCOC1
[EPA Substance Registry System]

1,3-Dioxane (505-22-6)
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[General Description]

Clear colorless liquid.
[Air & Water Reactions]

Highly flammable. Can form dangerous peroxides when exposed to air. Water soluble.
[Reactivity Profile]

1,3-DIOXANE is sensitive to heat. 1,3-DIOXANE can react with oxidizers.
[Health Hazard]

ACUTE/CHRONIC HAZARDS: When heated to decomposition 1,3-DIOXANE emits acrid smoke and fumes.
[Fire Hazard]

1,3-DIOXANE is flammable.
[Uses]

1,3-Dioxane has been employed as solvent in the synthesis of 8- and 9-membered dioxazocines and dioxazonines.
[Definition]

ChEBI: 1,3-dioxane is a dioxane and a cyclic acetal.
[Preparation]

1,3-dioxane is prepared by the reaction of formaldehyde and 1,3-propanediol in the presence of Br?nsted or Lewis acid catalysts.
[Purification Methods]

Dry the dioxane with sodium and fractionally distil it. [Beilstein 19/1 V 11.]
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H225-H302+H312+H332
[Precautionary statements ]

P210-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312
[Hazard Codes ]

F,Xn
[Risk Statements ]

11-20/21/22
[Safety Statements ]

16
[RIDADR ]

UN 1165 3/PG 2
[WGK Germany ]

3
[RTECS ]

JG8224000
[HS Code ]

2932.99.9090
[HazardClass ]

3.1
[PackingGroup ]

II
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Flam. Liq. 2
[Hazardous Substances Data]

505-22-6(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,3-Propanediol, 1-formate-->1,3-Propanediol, 1,3-diformate-->5,5-DIMETHYL-1,3-DIOXANE-->Trimethylene acetate-->2-Pentanone-->Formic acid-->Carbon dioxide-->1,3-Propanediol
[Preparation Products]

Pinacolone-->2-Amino-1,3-propanediol
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-DIOXANE(505-22-6)MS
1,3-DIOXANE(505-22-6)1HNMR
1,3-DIOXANE(505-22-6)13CNMR
1,3-DIOXANE(505-22-6)IR1
1,3-DIOXANE(505-22-6)Raman
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