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| CAS No.: | 828-00-2 |
|---|---|
| Name: | 2,6-DIMETHYL-1,3-DIOXAN-4-OL ACETATE |
| Molecular Structure: | |
|
|
|
| Formula: | C8H14O4 |
| Molecular Weight: | 174.197 |
| 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; |
| Density: | 1.067 g/mL at 25 °C(lit.) |
| Melting Point: | -7.15°C |
| Boiling Point: | 66-68 °C/3 mmHg(lit.) |
| Flash Point: | 52 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | R36/37/38; R40 |
| 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. |
| PSA: | 44.76000 |
| LogP: | 1.04700 |
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Chemistry
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
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. |
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. .
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.gif){kind=small}
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
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.