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Dimethoxane

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Name

Dimethoxane

EINECS N/A
CAS No. 828-00-2 Density 1.067 g/mL at 25 °C(lit.)
PSA 44.76000 LogP 1.04700
Solubility N/A Melting Point -7.15°C
Formula C8H14O4 Boiling Point 66-68 °C/3 mmHg(lit.)
Molecular Weight 174.197 Flash Point 52 °C
Transport Information N/A Appearance N/A
Safety Questionable carcinogen with experimental carcinogenic data. Moderately toxic by ingestion. Mutation data reported. See also ESTERS. When heated to decomposition it emits acrid smoke and fumes. Risk Codes R36/37/38; R40
Molecular Structure Molecular Structure of 828-00-2 (2,6-DIMETHYL-1,3-DIOXAN-4-OL ACETATE) Hazard Symbols Xn
Synonyms

2,6-Dimethyl-1,3-dioxan-4-yl acetate;Caswell No. 363;DIMETHOXANE;Dimethoxane,commercial grade;GIV Gard DXN-CO;GIV Gard DXN;6-acetoxy-2,4-dimethyl-1,3-dioxane;6-acetoxy-2,4-dimethyl-m-dioxane;1,3-Dioxan-4-ol,2,6-dimethyl-,acetate;Acetomethoxane;G1V Gard DXN;

 

Dimethoxane Chemical Properties

Molecular Formula: C8H14O4
Molar mass: 174.19 g/mol
EINECS: 212-579-9
Density: 1.08 g/cm3
Flash Point: 83.3 °C
Index of Refraction: 1.44
Boiling Point: 212.3 °C at 760 mmHg
Vapour Pressure: 0.174 mmHg at 25°C
Water solubility: Soluble
Appearance: Clear light yellow to light amber slightly viscous liquid with a mustard-like odor
Structure of Dimethoxane (828-00-2):
    
XLogP3-AA: 1.1
H-Bond Donor: 0
H-Bond Acceptor: 4
Systematic Name of Dimethoxane (828-00-2): (2,6-Dimethyl-1,3-dioxan-4-yl) acetate 
SMILES: O=C(OC1OC(OC(C1)C)C)C 
InChI: InChI=1/C8H14O4/c1-5-4-8(11-6(2)9)12-7(3)10-5/h5,7-8H,4H2,1-3H3 
InChIKey: PHMNXPYGVPEQSJ-UHFFFAOYAZ 
Std. InChI: InChI=1S/C8H14O4/c1-5-4-8(11-6(2)9)12-7(3)10-5/h5,7-8H,4H2,1-3H3 
Std. InChIKey: PHMNXPYGVPEQSJ-UHFFFAOYSA-N

Dimethoxane Toxicity Data With Reference

1.    

mma-sat 5500 µg/plate

    ENMUDM    Environmental Mutagenesis. 7 (1985),677.
2.    

sln-dmg-par 1 pph

    ENMUDM    Environmental Mutagenesis. 7 (1985),677.
3.    

orl-rat LD50:1930 mg/kg

    GCTB**    Givaudan Corporation, Corporate Communications. (100 Delawanna Ave., Clifton, NJ 07014) 3/25/77 .
4.    

orl-mus LDLo:2800 mg/kg

    NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-354 ,1989.

Dimethoxane Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 15 (1977),p. 177.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NTP Carcinogenesis Studies (gavage): Equivocal Evidence: MOUSE NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-354 ,1989. ; (gavage): No Evidence: RAT NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-354 ,1989. .

Dimethoxane Safety Profile

Questionable carcinogen with experimental carcinogenic data. Moderately toxic by ingestion. Mutation data reported. See also ESTERS. When heated to decomposition it emits acrid smoke and fumes.
 

Hazard Codes: Xn
Risk Statements:
36:  Irritating to the eyes
37:  Irritating to the respiratory system
38:  Irritating to the skin
40:  Limited evidence of a carcinogenic effect
Safety Statements:
22:  Do not breathe dust
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing

Dimethoxane Specification

 Dimethoxane (828-00-2) is slowly hydrolyzes upon exposure to moisture, and also can be called Acetomethoxane ; 2,6-Dimethyl-1,3-dioxan-4-yl acetate and 1,3-dioxan-4-ol, 2,6-dimethyl-, acetate .It is incompatible with strong acids and strong bases, and is combustible.

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