識別子と物理属性
| CAS No. | 2234851-14-8 |
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| 分子式 | C6H14O6 |
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| 平均分子量 | 182.17 g/mol |
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| 単同位体質量 | 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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化学・物理的性質
| XLogP | -3.1 |
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| 極性表面積 | 121 |
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| 水素結合供与体数 | 6 |
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| 水素結合受容体数 | 6 |
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| 回転可能結合数 | 5 |
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| 重原子数 | 12 |
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| 形式電荷 | 0 |
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| 複雑度 | 105 |
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| 物質分類 | Biological Agents -> Monosaccharides and Derivatives |
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| SpringerMaterials Properties | Crystal structure |
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| LogP（分配係数） | -3.10 |
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| 溶解度 | 31,0 mg/mL at 15 °C |
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| 融点 | 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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安全性と法規制
| GHS 分類 | 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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| 規制情報 | Chemical: GalactitolGalactitol: Does not have an individual approval but may be used under an appropriate group standard |
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| その他の安全情報 | IMAP assessments - Galactitol: Human health tier I assessment |
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| 有害性の概要 | 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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| 健康影響 | 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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| 毒性の概要 | 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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