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| IUPAC name : | (2R)-2-acetamido-3-sulfanylpropanoic acid |
| InChI : | InChI=1/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 |
| InChIKey : | PWKSKIMOESPYIA-BYPYZUCNBU |
| SMILES : | CC(=O)N[C@@H](CS)C(=O)O |
| cas number : | 616-91-1 |
| (EINECS) number : | 210-498-3 |
| beilstein number : | 1724426 |
| molar refractivity : | 38.25 ± 0.3 cm3 |
| parachor : | 335.1 ± 4.0 cm3 |
| index of refraction : | 1.518 ± 0.02 |
| surface tension : | 49.9 ± 3.0 dyne/cm |
| density : | 1.294 ± 0.06 g/cm3 |
| polarizability : | 15.16 ± 0.5 10-24cm3 |
| XlogP : | -2.30 |
| XlogP3 : | 0.40 |
| molecular weight : | 163.1948600 (IUPAC) |
| formula : | C5 H9 N O3 S |
| BioActivity Analysis : | 409483 |
| NMR Predictor : | Predict |
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| export tariff code : | 2930.90.5050 |
| fda reg : | unspecified |
Suppliers :
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| Ajinomoto : | N-ACETYL-L-CYSTEINE
USP, EP |
| Penta : | N-acetyl-laevo-cysteine
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organoleptics :
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properties :
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| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 109.00 to 110.00 °C. @ 760.00 mm Hg
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| boiling point : | 407.00 to 408.00 °C. @ 760.00 mm Hg
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| flash point : | 392.00 °F. TCC ( 200.00 °C. )
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| logP (o/w) : | -0.66 |
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 22 - Do not breath dust. S 24/25 - Avoid contact with skin and eyes.
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| Oral Toxicity(LD50) : |
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Intraperitoneal-Mouse 400.00 mg/kg National Technical Information Service. Vol. AD691-490
intravenous-Mouse 3800.00 mg/kg Journal of Medicinal Chemistry. Vol. 10, Pg. 1172, 1967.
Oral-Mouse 4400.00 mg/kg European Patent Application. Vol. #0192191
intravenous-Rat 1140.00 mg/kg European Journal of Respiratory Diseases.
Oral-Rat 5050.00 mg/kg Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
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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-cysteine fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for acetyl-laevo-cysteine flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| ClinicalTrials.gov : | search |
| Daily Med : | 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 |
| 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 |
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| | (2R)-2-acetamido-3-sulfanylpropanoic acid |
| (EINECS) number : | 210-498-3 |
| RTECS : | HA1660000 for cas# 616-91-1 |
| chemidplus : | 000616911 |
| EPA Substance Registry Services : | 616-91-1 |
| dtp/nci : | 111180 |
references :
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| | (2R)-2-acetamido-3-sulfanylpropanoic acid |
| NIST Chemistry WebBook : | 616911 |
| pubchem : | 155349 |
Cosmetics :
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| Cosmetic uses : |
antioxidants
skin conditioning
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other :
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| CosIng : | cosmetic data |
| Dietary Supplements Labels Database : | Search |
| FDA Listing of Food Additive Status Part I (A through G | View |
| FDA Listing of Food Additive Status Part II (H through Z | View |