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| IUPAC name : | 2-acetamido-4-methylsulfanylbutanoic acid |
| InChI : | InChI=1/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11) |
| InChIKey : | XUYPXLNMDZIRQH-UHFFFAOYAQ |
| SMILES : | O=C(NC(C(=O)O)CCSC)C |
| cas number : | 65-82-7 |
| (EINECS) number : | 200-617-7 |
| beilstein number : | 1725552 |
| molar refractivity : | 47.85 ± 0.5 cm3 |
| parachor : | 395.8 ± 8.0 cm3 |
| index of refraction : | 1.531 ± 0.05 |
| surface tension : | 43.0 ± 7.0 dyne/cm |
| density : | 1.23 ± 0.1 g/cm3 |
| polarizability : | 18.97 ± 0.5 10-24cm3 |
| XlogP : | -1.60 |
| XlogP3 : | 0.10 |
| molecular weight : | 191.2480200 (IUPAC) |
| formula : | C7 H13 N O3 S |
| BioActivity Analysis : | 413656 |
| NMR Predictor : | Predict |
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| export tariff code : | 2930.90.5050 |
| fda reg : | 172.372 |
Suppliers :
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| Nanjing : | (2S)-N-Acetyl-L-methionine
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| Sigma-Aldrich-Fluka : | N-Acetyl-L-methionine
puriss., ≥99.0% (T) |
| TCI AMERICA : | N-Acetyl-L-methionine
>98.0%(T) |
organoleptics :
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properties :
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| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| optical rotation : | -23.00 to -19.00
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| melting point : | 105.00 to 108.00 °C. @ 760.00 mm Hg
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| flash point : | 442.00 °F. TCC ( 227.78 °C. )
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| logP (o/w) : | -0.03 |
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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intravenous-Mouse 435.00 mg/kg Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 262, 1970.
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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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| recommendation for acetyl-laevo-methionine usage levels up to : |
| | not for fragrance use.
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safety references :
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| EPI System : | view |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 2-acetamido-4-methylsulfanylbutanoic acid
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| (EINECS) number : | 200-617-7 |
| RTECS : | PD0480000 for 65-82-7 |
| chemidplus : | 000065827 |
| EPA Substance Registry Services : | 65-82-7 |
| dtp/nci : | 118514 |
references :
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| | 2-acetamido-4-methylsulfanylbutanoic acid
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| NIST Chemistry WebBook : | 1256970380 |
| pubchem : | 149084 |
Cosmetics :
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| Cosmetic uses : |
skin conditioning
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other :
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| CosIng : | cosmetic data |
| FDA Everything Added to Food in the United States (EAFUS) | View |