식별자 및 물리적 특성
| CAS No. | 2234851-14-8 |
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| 분자식 | C6H14O6 |
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| 평균 분자량 | 182.17 g/mol |
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| 단동위원소 질량 | 182.07903817 g/mol |
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| SMILES | OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO |
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| InChIKey | FBPFZTCFMRRESA-GUCUJZIJSA-N |
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| PubChem CID | 11850 |
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| ChEMBL | CHEMBL1773904 |
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| ChEBI | CHEBI:16813 |
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| EC No. | 171-669-5 |
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| DTXSID | DTXSID1046051 |
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화학 및 물리적 성질
| XLogP | -3.1 |
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| 극성 표면적 | 121 |
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| 수소 결합 공여자 수 | 6 |
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| 수소 결합 수용자 수 | 6 |
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| 회전 가능 결합 수 | 5 |
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| 무거운 원자 수 | 12 |
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| 형식 전하 | 0 |
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| 복잡도 | 105 |
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| 물질 분류 | Biological Agents -> Monosaccharides and Derivatives |
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| SpringerMaterials Properties | Crystal structure |
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| LogP(분배 계수) | -3.10 |
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| 용해도 | 31,0 mg/mL at 15 °C |
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| 녹는점 | 189.5 °C |
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| Physical Description | Solid[Merck Index] White to off-white hygroscopic powder[Alfa Aesar MSDS] |
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| Collision Cross Section | 128.77 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]145.91 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field]142.2 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]143.4 Ų [M+Na]+ |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 규제 정보 | Chemical: GalactitolGalactitol: Does not have an individual approval but may be used under an appropriate group standard |
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| 기타 안전 정보 | IMAP assessments - Galactitol: Human health tier I assessment |
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| 유해성 요약 | May cause irritation[Alfa Aesar MSDS] |
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| Hazard Classes and Categories | Skin Irrit. 2 (33.3%)Skin Irrit. 2 (100%) |
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| 건강 영향 | Chronically high levels of galactitol are associated with at least 2 inborn errors of metabolism including: Galactosemia and Galactosemia type II. |
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| 독성 요약 | Accumulation of galactitol in the body has been shown to be toxic. Accumulation of galactitol in the lens causes the osmotic phenomena and results in cataract formation. It may form in excess in the lens of the eye in galactosemias, a deficiency of galactokinase. |
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| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
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