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| CAS No.: | 505-22-6 |
|---|---|
| Name: | 1,3-Dioxane |
| Article Data: | 38 |
| Molecular Structure: | |
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|
|
| Formula: | C4H8 O2 |
| Molecular Weight: | 88.1063 |
| Synonyms: | m-Dioxane(8CI); 1,3-Dioxacyclohexane; 1,3-Propanediol formal; NSC 139436; m-Dioxin,dihydro- |
| EINECS: | 208-005-1 |
| Density: | 1.0342 |
| Melting Point: | -42℃ |
| Boiling Point: | 105℃ |
| Flash Point: | 59 °F |
| Solubility: | miscible |
| Hazard Symbols: | F,Xn |
| Risk Codes: | 11-20/21/22 |
| Safety: | Mutation data reported. A very dangerous fire and explosion hazard when exposed to heat or flame; can react with oxidizing materials. Can form dangerous peroxides when exposed to air. When heated to decomposition it emits acrid smoke and fumes. |
| PSA: | 18.46000 |
| LogP: | 0.38080 |
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Chemistry
IUPAC: 1,3-Dioxane
m-Dioxane (505-22-6) is also called for 1,3-Dioxacyclohexane ; 1,3-Dioxane ; 1,3-Propanediol formal ; CCRIS 5911 ; EINECS 208-005-1 ; HSDB 4263 ; NSC 139436 ; Trimethylene glycol methylene ether ; m-Dioxin, dihydro- ; meta-Dioxane and so on.
Molecular Formula: C4H8O2
Molecular Weight: 88.11
EINECS: 208-005-1
LogP: ACD/LogP: -0.44
XLogP: 0.10
ALOGPS: -0.14
ACD/LogD (pH 5.5): -0.44
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 13.67
ACD/KOC (pH 7.4): 13.67
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 0
Heavy Atom Count: 6
Formal Charge: 0
Complexity: 32.5
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 0
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1
Index of Refraction: 1.404
Molar Refractivity: 21.65 cm3
Molar Volume: 88.5 cm3
Surface Tension: 31.2 dyne/cm
Density: 0.995 g/cm3
Flash Point: 15°C
Enthalpy of Vaporization: 34.37 kJ/mol
Boiling Point: 105.5°C at 760 mmHg
Vapour Pressure: 34.3 mmHg at 25°C
The appearance of m-Dioxane (505-22-6) is colourless liquid.
The molecular structure of m-Dioxane (505-22-6) :
Toxicity Data With Reference
| 1. | mmo-sat 3333 µg/plate | ENMUDM Environmental Mutagenesis. 5 (Suppl 1)(1983),3. | ||
| 2. | uns-sat 70 mg/L | MUREAV Mutation Research. 192 (1987),239. | ||
| 3. | cyt-ham:ovr 1300 mg/L | EMMUEG Environmental and Molecular Mutagenesis. 10 (Suppl 10)(1987),1. | ||
| 4. | sce-ham:ovr 2080 mg/L | EMMUEG Environmental and Molecular Mutagenesis. 10 (Suppl 10)(1987),1. |
Safety Profile
Mutation data reported. A very dangerous fire and explosion hazard when exposed to heat or flame; can react with oxidizing materials. Can form dangerous peroxides when exposed to air. When heated to decomposition it emits acrid smoke and fumes.
Hazard Codes: F
,Xn
Risk Statements: 11-20/21/22
R11:Highly flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 16
S16:Keep away from sources of ignition.
RIDADR: UN 1165 3/PG 2
WGK Germany: 3
RTECS: JG8224000
HazardClass: 3.1
PackingGroup: II
Specification
1.Treatment of m-Dioxane (505-22-6) in Wastewater,see as follows :
Total removal:3.43 percent
Total biodegradation:0.09 percent
Total sludge adsorption:1.74 percent
Total to air:1.60 percent
(using 10000 hr Bio P,A,S)
2.Reactivity Profile
m-Dioxane (505-22-6) is sensitive to heat, it can react with oxidizers.
3.Fire Fighting Measures
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors can travel to a source of ignition and flash back. Will burn if involved in a fire. Containers may explode in the heat of a fire. Flammable liquid and vapor. May form explosive peroxides. Forms explosive mixtures with air.
Extinguishing Media: Use water spray to cool fire-exposed containers. Use water spray, dry chemical, carbon dioxide, or chemical foam.
4.Handling and Storage
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area. Store under nitrogen.