식별자 및 물리적 특성
| CAS No. | 57-50-1 |
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| 분자식 | C12H22O11 |
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| 평균 분자량 | 342.3 g/mol |
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| 단동위원소 질량 | 342.11621152 g/mol |
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| SMILES | OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
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| InChIKey | CZMRCDWAGMRECN-UGDNZRGBSA-N |
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| PubChem CID | 5988 |
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| ChEMBL | CHEMBL253582 |
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| ChEBI | CHEBI:17992 |
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| EC No. | 200-334-9 |
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| DTXSID | DTXSID2021288 |
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화학 및 물리적 성질
| XLogP | -3.7 |
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| 극성 표면적 | 190 |
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| 수소 결합 공여자 수 | 8 |
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| 수소 결합 수용자 수 | 11 |
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| 회전 가능 결합 수 | 5 |
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| 무거운 원자 수 | 23 |
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| 형식 전하 | 0 |
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| 복잡도 | 395 |
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| 물질 분류 | Biological Agents -> Disaccharides |
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| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
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| 화장품 | Cosmetic ingredients (Sucrose) -> CIR (Cosmetic Ingredient Review)SoothingHumectantSkin conditioning |
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| pH | Soln are neutral to litmus |
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| SpringerMaterials Properties | Chemical diffusion |
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| 농약 | Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Approved |
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| LogP(분배 계수) | log Kow = -3.70-3.67-2.7 |
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| 냄새 | Characteristic caramel... Odorless ... [Note: May have a characteristic caramel odor when heated]. |
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| 맛 | Sweet |
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| 식품 첨가물 | NUTRITIVE SWEETENER -> FDA Substance added to food |
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| 밀도 | 1.59 at 68 °F (USCG, 1999) - Denser than waterwill sink1.5805 g/cu cm @ 17 °C1.6 g/cm³ |
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| Color/Form | Monoclinic sphenoidal crystals, crystalline masses, blocks, or powderHard, white ... crystals, lumps, or powder ... |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 95.7% (423 of 442) of all reports.Not ClassifiedAggregated GHS information provided per 442 reports by companies from 8 notifications to the ECHA C&L Inventory. |
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| 규제 정보 | Chemical: .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Reg. (EU) No 916/2014Sucrose: Does not have an individual approval but may be used under an appropriate group standard |
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| 기타 안전 정보 | IMAP assessments - .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl: Human health tier I assessment |
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| 화재 위험 | Special Hazards of Combustion Products: Irritating fumes may form in fires.Combustible. Finely dispersed particles form explosive mixtures in air. |
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| 건강 유해성 | None (USCG, 1999) |
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| 유해성 요약 | May cause mechanical irritation.[ICSC] |
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| FDA 요건 | Substance added directly to human food affirmed as generally recognized as safe (GRAS). |
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| 반응성 그룹 | Alcohols and Polyols |
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| Special Reports | INFORMATICS INCSCIENTIFIC LITERATURE REVIEWS ON GENERALLY RECOGNIZED AS SAFE (GRAS) FOOD INGREDIENTS: SUCROSEUS NTIS PB REPORT PB-228 548, 202 PP. (1973). LITERATURE REVIEW OF SUCROSE AND ITS USE IN FOOD PRODUCTS. |
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| EPA Safer Chemical | Chemical: Sucrose |
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| FIFRA 요건 | Residues of sucrose are exempted from the requirement of a tolerance when used as a solid diluent, carrier or safener in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest. |
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