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| IUPAC name : | acetyl acetate |
| InChI : | InChI=1/C4H6O3/c1-3(5)7-4(2)6/h1-2H3 |
| InChIKey : | WFDIJRYMOXRFFG-UHFFFAOYAH |
| SMILES : | CC(=O)OC(=O)C |
| cas number : | 108-24-7 |
| (EINECS) number : | 203-564-8 |
| beilstein number : | 0385737 |
| molar refractivity : | 22.38 ± 0.3 cm3 |
| parachor : | 221.0 ± 4.0 cm3 |
| index of refraction : | 1.386 ± 0.02 |
| surface tension : | 29.1 ± 3.0 dyne/cm |
| density : | 1.072 ± 0.06 g/cm3 |
| polarizability : | 8.87 ± 0.5 10-24cm3 |
| XlogP : | 0.70 |
| XlogP3-AA : | -0.10 |
| molecular weight : | 102.0886400 (IUPAC) |
| formula : | C4 H6 O3 |
| BioActivity Analysis : | 70799 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.24.0000 |
| fda reg : | 172.892 |
Suppliers :
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| Nanjing : | Acetic anhydride
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| Penta : | acetic anhydride
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| Pfaltz & Bauer : | Acetic anhydride
99% |
| TCI AMERICA : | Acetic Anhydride
(ca. 1mol/L in Dichloromethane) |
organoleptics :
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| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | vinegar |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.08000 @ 25.00 °C.
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| refractive index : | 1.39000 @ 20.00 °C.
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| melting point : | -73.00 °C. @ 760.00 mm Hg
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| boiling point : | 137.00 to 140.00 °C. @ 760.00 mm Hg
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| boiling point : | 66.00 to 67.00 °C. @ 50.00 mm Hg
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| vapor pressure : | 5.10000 mm/Hg @ 25.00 °C. |
| vapor density : | 3.5 ( Air = 1 ) |
| flash point : | 120.00 °F. TCC ( 48.89 °C. )
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| logP (o/w) : | -0.48 |
| shelf life : | 6.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| | moisture Sensitive. |
safety :
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| most important hazard(s) : | C - Corrosive. |
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R 10 - Flammable. R 20/22 - Harmful by inhalation and if swallowed. R 34 - Causes burns. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately.
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| Oral Toxicity(LD50) : |
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Oral-Rat 1780.00 mg/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 4.0 ml/kg Union Carbide Data Sheet. Vol. 8/7/1963
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| Inhalation Toxicity(LC50) : |
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Inhalation-Rat 1000.00 ppm/4H "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 607, 1969.
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safety in use :
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| recommendation for acetic anhydride usage levels up to : |
| | not for fragrance use.
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safety references :
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| EPI System : | view |
| IUCLID : | view |
| NIOSH International Chemical Safety Cards : | search |
| NIOSH Pocket Guide : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1715 |
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| WGK Germany : | 1 |
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| | acetyl acetate
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| (EINECS) number : | 203-564-8 |
| RTECS : | 108-24-7 |
| chemidplus : | 000108247 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 108-24-7 |
| dtp/nci : | 4530 |
references :
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| | acetyl acetate
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| NIST Chemistry WebBook : | 1636498698 |
| pubchem : | 151027 |
other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |