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| IUPAC name : | 1-acetyloxypropan-2-yl acetate |
| InChI : | InChI=1/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3 |
| InChIKey : | MLHOXUWWKVQEJB-UHFFFAOYAR |
| SMILES : | CC(COC(=O)C)OC(=O)C |
| cas number : | 623-84-7 |
| (EINECS) number : | 210-817-6 |
| beilstein number : | 1768914 |
| fema number : | 4464 |
| molar refractivity : | 37.98 ± 0.3 cm3 |
| parachor : | 357.4 ± 4.0 cm3 |
| index of refraction : | 1.415 ± 0.02 |
| surface tension : | 31.0 ± 3.0 dyne/cm |
| density : | 1.057 ± 0.06 g/cm3 |
| polarizability : | 15.05 ± 0.5 10-24cm3 |
| XlogP : | 0.70 |
| molecular weight : | 160.1677800 (IUPAC) |
| formula : | C7 H12 O4 |
| BioActivity Analysis : | 117276 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.39.9050 |
| fda reg : | unspecified |
Suppliers :
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| Inoue : | PROPYLENE GLYCOL DIACETATE
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| Sigma-Aldrich-Aldrich : | Propylene glycol diacetate
≥99.7% |
organoleptics :
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properties :
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| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 189.00 to 191.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.57800 mm/Hg @ 25.00 °C. |
| flash point : | 183.00 °F. TCC ( 83.89 °C. )
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| logP (o/w) : | 0.82 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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| Oral Toxicity(LD50) : |
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Oral-Rat 13530.00 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.
Oral-Guineapig 3420.00 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link. |
| publication number : 24 |
| | average usual ppm | average maximum ppm |
| baked goods : | 4.00000 | 9.00000 |
| beverages(nonalcoholic) : | 1.00000 | 1.50000 |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | 10.00000 | 250.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 1.00000 | 2.00000 |
| fruit ices : | 1.00000 | 2.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 0.40000 | 50.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | - | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
| NIOSH International Chemical Safety Cards : | search |
| NLM Hazardous Substances Data Bank : | search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 1-acetyloxypropan-2-yl acetate |
| (EINECS) number : | 210-817-6 |
| RTECS : | 623-84-7 |
| chemidplus : | 000623847 |
| EPA Substance Registry Services : | 623-84-7 |
| dtp/nci : | 75843 |
references :
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| | 1-acetyloxypropan-2-yl acetate |
| NIST Chemistry WebBook : | 623847 |
| pubchem : | 155516 |
other :
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