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| IUPAC name : | 2-amino-3-methylbutanoic acid |
| InChI : | InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) |
| InChIKey : | KZSNJWFQEVHDMF-UHFFFAOYAP |
| SMILES : | CC(C)C(C(=O)O)N |
| cas number : | 516-06-3 |
| (EINECS) number : | 208-220-0 |
| beilstein number : | 0506689 |
| fema number : | 3444 |
| coe number : | 17023 |
| jecfa number : | 1426 |
| fl. number : | 17.023 |
| molar refractivity : | 30.23 ± 0.3 cm3 |
| parachor : | 276.6 ± 4.0 cm3 |
| index of refraction : | 1.461 ± 0.02 |
| surface tension : | 39.8 ± 3.0 dyne/cm |
| density : | 1.063 ± 0.06 g/cm3 |
| polarizability : | 11.98 ± 0.5 10-24cm3 |
| XlogP : | -2.20 |
| molecular weight : | 117.1463400 |
| formula : | C5 H11 N O2 |
| BioActivity Analysis : | 75131 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.60.0000 |
| fda reg : | unspecified |
Suppliers :
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| Penta : | dextro,laevo-valine
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| Sigma-Aldrich-SAFC : | DL-Valine
≥97% |
organoleptics :
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| odor type : | odorless |
| odor strength : | none |
odor description : at 100.00 %. | odorless |
properties :
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| appearence : | white crystalline powder |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 156.00 to 158.00 °C. @ 760.00 mm Hg
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| flash point : | not determined
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| logP (o/w) : | 0.20 |
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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Not determined
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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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 35.00 (μg/capita/day) |
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| recommendation for dextro,laevo-valine usage levels up to : |
| | not for fragrance use.
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| recommendation for dextro,laevo-valine usage levels up to : |
| | 200.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Chemical Carcinogenesis Research Information System : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 1 |
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| | 2-amino-3-methylbutanoic acid
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| (EINECS) number : | 208-220-0 |
| chemidplus : | 000516063 |
| EPA Substance Registry Services : | 516-06-3 |
| dtp/nci : | 9755 |
references :
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| | 2-amino-3-methylbutanoic acid
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| fl. number : | 17.023 |
| jecfa number : | 1426 |
| NIST Chemistry WebBook : | 516063 |
| pubchem : | 153880 |
Cosmetics :
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| Cosmetic uses : |
antistatic agents
hair conditioning
masking agents
skin conditioning
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |