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| IUPAC name : | prop-2-enal |
| InChI : | InChI=1/C3H4O/c1-2-3-4/h2-3H,1H2 |
| InChIKey : | HGINCPLSRVDWNT-UHFFFAOYAQ |
| SMILES : | C=CC=O |
| cas number : | 107-02-8 |
| (EINECS) number : | 203-453-4 |
| eu annex : | 605-008-00-3 |
| beilstein number : | 0741856 |
| fl. number : | 05.176 |
| molar refractivity : | 15.85 ± 0.3 cm3 |
| parachor : | 149.3 ± 4.0 cm3 |
| index of refraction : | 1.367 ± 0.02 |
| surface tension : | 20.1 ± 3.0 dyne/cm |
| density : | 0.795 ± 0.06 g/cm3 |
| polarizability : | 6.28 ± 0.5 10-24cm3 |
| XlogP : | 0.30 |
| molecular weight : | 56.0632600 (IUPAC) |
| formula : | C3 H4 O |
| BioActivity Analysis : | 74434 |
| NMR Predictor : | Predict |
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| export tariff code : | 2912.19.5000 |
| fda reg : | 172.892 176.300 |
Suppliers :
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| Nanjing : | Acrolein
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| Pfaltz & Bauer : | 2-Propenal
95% |
| Sigma-Aldrich-Aldrich : | Acrolein
90% |
organoleptics :
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properties :
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| appearence : | colorless to pale yellow clear liquid |
| water content : | <10% |
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.83900 @ 25.00 °C.
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| refractive index : | 1.40250 @ 20.00 °C.
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| melting point : | -87.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 274.00000 mm/Hg @ 25.00 °C. |
| vapor density : | 1.94 ( Air = 1 ) |
| flash point : | -2.00 °F. TCC ( -18.89 °C. )
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| logP (o/w) : | -0.01 |
safety :
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| most important hazard(s) : | T N - Toxic, Dangerous for the environment. |
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R 12 - Extremely flammable. R 24/25 - Toxic in contact with skin and if swallowed. R 26 - Very toxic by inhalation. R 34 - Causes burns. R 50 - Very toxic to aquatic organisms. S 02 - Keep out of the reach of children. 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 28 - After contact with skin, wash immediately with plenty of water. 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. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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| Oral Toxicity(LD50) : |
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Oral-Mouse 13.90 mg/kg National Technical Information Service. Vol. OTS0533812
Oral-Rabbit 7.00 mg/kg Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials,Inc,1966 Vol -Pg 1,1966
Intraperitoneal-Rat 4.00 mg/kg Toxicology and Applied Pharmacology. Vol. 71, Pg. 84, 1983.
Oral-Rat 26.00 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 58(10), Pg. 4, 1993.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 200.00 mg/kg Union Carbide Data Sheet. Vol. 6/18/1971
Subcutaneous-Rat 50.00 mg/kg Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.
Subcutaneous-Mouse 30.00 mg/kg Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.
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| Inhalation Toxicity(LC50) : |
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Inhalation-Rat 18.00 mg/m3/4H Current Toxicology. Vol. 1, Pg. 47, 1993.
Inhalation-Mouse 66.00 ppm/6H Internationales Archiv fuer Arbeitsmedizin. Vol. 26, Pg. 281, 1970.
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safety in use :
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| recommendation for acrolein usage levels up to : |
| | not for fragrance use.
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| recommendation for acrolein usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| IUCLID : | view |
| EPA-Iris : | IRIS |
| NIOSH International Chemical Safety Cards : | search |
| NIOSH Pocket Guide : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| AIDS Citations : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Carcinogenic Potency Database : | Search |
| EPA GENetic TOXicology : | 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 1092 |
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| WGK Germany : | 3 |
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| | prop-2-enal
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| (EINECS) number : | 203-453-4 |
| RTECS : | 107-02-8 |
| chemidplus : | 000107028 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 107-02-8 |
| dtp/nci : | 8819 |
references :
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| | prop-2-enal
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| fl. number : | 05.176 |
| pubchem : | 150946 |
other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |