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| IUPAC name : | 2-amino-3-hydroxybutanoic acid |
| InChI : | InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/f/h7H |
| InChIKey : | AYFVYJQAPQTCCC-UHFFFAOYAG |
| SMILES : | CC(C(C(=O)O)N)O |
| cas number : | 80-68-2 |
| (EINECS) number : | 201-300-6 |
| beilstein number : | 1721647 |
| fl. number : | 17.021 |
| molar refractivity : | 27.13 ± 0.3 cm3 |
| parachor : | 253.6 ± 4.0 cm3 |
| index of refraction : | 1.507 ± 0.02 |
| surface tension : | 60.0 ± 3.0 dyne/cm |
| density : | 1.307 ± 0.06 g/cm3 |
| polarizability : | 10.75 ± 0.5 10-24cm3 |
| XlogP : | -3.50 |
| molecular weight : | 119.1191600 (IUPAC) |
| formula : | C4 H9 N O3 |
| BioActivity Analysis : | 125487 |
| NMR Predictor : | Predict |
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| export tariff code : | 2922.50.5000 |
| fda reg : | unspecified |
Suppliers :
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| Penta : | dextro,laevo-threonine
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| Sigma-Aldrich-Fluka : | DL-Threonine
purum, ≥95.0% (HPLC) |
organoleptics :
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properties :
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| appearence : | white powder |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 230.00 to 244.00 °C. @ 760.00 mm Hg
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| flash point : | 325.00 °F. TCC ( 162.78 °C. )
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| logP (o/w) : | -3.04 |
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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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) : | 0.12 (μg/capita/day) |
| modified Theoretical Added Maximum Daily Intake (mTAMDI) : | 49000 (μg/person/day) |
| Threshold of concern : | 1800 (μg/person/day) |
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| recommendation for dextro,laevo-threonine usage levels up to : |
| | not for fragrance use.
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| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i). |
| Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. |
| | average usage mg/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0) : | - | - |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) : | - | - |
| Edible ices, including sherbet and sorbet (03.0) : | - | - |
| Processed fruit (04.1) : | - | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : | - | - |
| Confectionery (05.0) : | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : | - | - |
| Bakery wares (07.0) : | - | - |
| Meat and meat products, including poultry and game (08.0) : | - | - |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : | - | - |
| Eggs and egg products (10.0) : | - | - |
| Sweeteners, including honey (11.0) : | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : | - | - |
| Foodstuffs intended for particular nutritional uses (13.0) : | - | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : | 150.00000 | - |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : | - | - |
| Ready-to-eat savouries (15.0) : | - | - |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : | - | - |
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-hydroxybutanoic acid
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| (EINECS) number : | 201-300-6 |
| chemidplus : | 000080682 |
| EPA Substance Registry Services : | 80-68-2 |
| dtp/nci : | 206292 |
references :
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| | 2-amino-3-hydroxybutanoic acid
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| fl. number : | 17.021 |
| NIST Chemistry WebBook : | 4168377604 |
| pubchem : | 208544 |
Cosmetics :
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| Cosmetic uses : |
antistatic agents
hair conditioning
hair straightening agents
hair waving agents
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other :
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| CosIng : | cosmetic data |