| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 1,1-dimethoxyethane |
| InChI : | InChI=1/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3 |
| InChIKey : | SPEUIVXLLWOEMJ-UHFFFAOYAV |
| SMILES : | CC(OC)OC |
| cas number : | 534-15-6 |
| (EINECS) number : | 208-589-8 |
| beilstein number : | 1697039 |
| fema number : | 3426 |
| coe number : | 510 |
| jecfa number : | 940 |
| fl. number : | 06.015 |
| molar refractivity : | 24.02 ± 0.3 cm3 |
| parachor : | 228.0 ± 4.0 cm3 |
| index of refraction : | 1.364 ± 0.02 |
| surface tension : | 20.1 ± 3.0 dyne/cm |
| density : | 0.837 ± 0.06 g/cm3 |
| polarizability : | 9.52 ± 0.5 10-24cm3 |
| XlogP : | 0.40 |
| XlogP3-AA : | 0.50 |
| molecular weight : | 90.1210000 (IUPAC) |
| formula : | C4 H10 O2 |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | 2911.00.5000 |
| fda reg : | unspecified |
Suppliers :
|
| Nanjing : | acetaldehyde dimethyl acetal
|
| Penta : | acetaldehyde dimethyl acetal
|
| Pfaltz & Bauer : | Acetaldehyde dimethyl acetal
98% |
| Sigma-Aldrich-SAFC : | 1,1-Dimethoxyethane
≥97% |
| TCI AMERICA : | Dimethyl Acetal
>98.0%(GC) |
organoleptics :
|
| odor type : | ethereal |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description :¹ at 1.00 % in propylene glycol. | sharp sweet alcohol ether green new mown hay |
| odor sample from : | Nickstadt Moeller, Inc. |
| substantivity : | < 1 hour(s) at 100.00 % |
properties :
|
| appearence : | colorless clear liquid |
| assay : | 96.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85000 to 0.86000 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.073 to 7.156
|
| refractive index : | 1.36500 to 1.36700 @ 20.00 °C.
|
| melting point : | -113.20 °C. @ 760.00 mm Hg
|
| boiling point : | 64.00 to 65.00 °C. @ 760.00 mm Hg
|
| vapor pressure : | 171.00000 mm/Hg @ 25.00 °C. |
| vapor density : | 3.1 ( Air = 1 ) |
| flash point : | 1.00 °F. TCC ( -17.22 °C. )
|
| logP (o/w) : | 0.22 |
safety :
|
| most important hazard(s) : | F - Highly flammable. |
| |
R 12 - Extremely flammable. S 02 - Keep out of the reach of children. S 09 - Keep container in a well-ventilated place. S 16 - Keep away from sources of ignition - No Smoking. S 33 - Take precautionary measures against static discharge.
|
| Oral Toxicity(LD50) : |
| |
Oral-Rabbit 4507.00 mg/kg Proceedings of the Society for Experimental Biology and Medicine. Vol. 29, Pg. 730, 1932.
Oral-Rat 6500.00 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
|
| Dermal Toxicity(LD50) : |
| |
Skin-Rabbit 20000.00 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
|
| Inhalation Toxicity(LC50) : |
| |
Inhalation-Rat 3000.00 ppm/4H Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
|
| |
safety in use :
|
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 61.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 11.00 (μg/capita/day) |
| Structure Class : | I |
| |
| recommendation for acetaldehyde dimethyl acetal usage levels up to : |
| | 6.0000 ppm in the flavor.
|
safety references :
|
| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 2377 |
| |
| WGK Germany : | 2 |
| |
| |
| |
| | 1,1-dimethoxyethane
|
| (EINECS) number : | 208-589-8 |
| RTECS : | AB2825000 for 534-15-6 |
| chemidplus : | 000534156 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 534-15-6 |
references :
|
| | 1,1-dimethoxyethane
|
| fl. number : | 06.015 |
| jecfa number : | 940 |
| NIST Chemistry WebBook : | 2473418569 |
| pubchem : | 154099 |
other :
|
| reference : | Luebke, William tgsc, (1985)¹ |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |