식별자 및 물리적 특성
| CAS No. | 7013-32-3 |
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| 분자식 | C4H9NO3 |
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| 평균 분자량 | 119.12 g/mol |
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| 단동위원소 질량 | 119.05824315 g/mol |
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| SMILES | C[C@@H](O)[C@H](N)C(=O)O |
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| InChIKey | AYFVYJQAPQTCCC-GBXIJSLDSA-N |
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| PubChem CID | 6288 |
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| ChEMBL | CHEMBL291747 |
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| ChEBI | CHEBI:16857 |
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| EC No. | 200-774-1 |
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| DTXSID | DTXSID70893087 |
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화학 및 물리적 성질
| XLogP | -2.9 |
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| 극성 표면적 | 83.6 |
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| 수소 결합 공여자 수 | 3 |
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| 수소 결합 수용자 수 | 4 |
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| 회전 가능 결합 수 | 2 |
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| 무거운 원자 수 | 8 |
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| 형식 전하 | 0 |
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| 복잡도 | 93.3 |
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| 물질 분류 | Biological Agents -> Amino Acids and Derivatives |
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| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
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| 화장품 | Cosmetic ingredients (Threonine) -> CIR (Cosmetic Ingredient Review)Hair conditioningAntistatic |
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| LogP(분배 계수) | log Kow = -2.94 |
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| 식품 첨가물 | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, NUTRIENT SUPPLEMENT -> FDA Substance added to food |
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| Color/Form | Colorless crystals |
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| 용해도 | Insoluble in ethanol, ethyl ether, chloroformInsoluble in common neutral solventsIn water, 9.70X10+4 mg/L at 25 °C97.0 mg/mLSparingly soluble in waterSoluble in buffer systems pH 5.5 |
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| Decomposition | When heated to decomposition it emits toxic fumes of /nitric oxide/. |
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| 녹는점 | 256 °C (decomposes)MP: 228-229 °C with decomposition (dl-threonine)255-275 °C with decomposition (l(-)-threonine) (naturally occurring)250-252 °C (dl-allo-threonine) |
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| 증기압 | 0.00000004 [mmHg] |
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| Physical Description | Solid[Merck Index]Hemihydrate: Solid[Merck Index] White powder[Sigma-Aldrich MSDS]White crystalline powderslight savoury aroma |
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| Ionization Efficiency | Positive2.352.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 99.6% (245 of 246) of all reports.Not ClassifiedAggregated GHS information provided per 246 reports by companies from 3 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 92.2% (214 of 232) of all reports.Aggregated GHS information provided per 232 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| 규제 정보 | Chemical: L-ThreonineChemical: DL-ThreonineRegulation (EC) No 1831/2003 (amended)Status: Active Update: 07-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16986L-Threonine: Does not have an individual approval but may be used under an appropriate group standardThreonine, (2R,3S)-rel-: Does not have an individual approval but may be used under an appropriate group standard |
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| 기타 안전 정보 | IMAP assessments - DL-Threonine: Environment tier I assessmentIMAP assessments - L-Threonine: Environment tier I assessment |
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| 유해성 요약 | May cause irritation[Sigma-Aldrich MSDS] |
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| FDA 요건 | L-Threonine is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity of the substance added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) any substance intended for use in or on food is of appropriate food grade and is prepared and handled as a food ingredient.Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: threonine is included in weight control drug products.Threonine used as a nutrient and/or dietary supplement in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. |
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| Special Reports | NAS, Food and Nutrition Board, Institute of Medicine |
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