識別子と物理属性
| CAS No. | 52126-90-6 |
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| 分子式 | C6H10O3 |
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| 平均分子量 | 130.14 g/mol |
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| 単同位体質量 | 130.06299418 g/mol |
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| SMILES | CC1(C)COC(=O)C1O |
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| InChIKey | SERHXTVXHNVDKA-UHFFFAOYSA-N |
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| PubChem CID | 989 |
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| ChEMBL | CHEMBL4066633 |
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| ChEBI | CHEBI:194720 |
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| EC No. | 201-210-7 |
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| DTXSID | DTXSID40861637 |
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化学・物理的性質
| XLogP | 0.5 |
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| 極性表面積 | 46.5 |
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| 水素結合供与体数 | 1 |
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| 水素結合受容体数 | 3 |
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| 回転可能結合数 | 0 |
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| 重原子数 | 9 |
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| 形式電荷 | 0 |
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| 複雑度 | 139 |
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| 物質分類 | Biological Agents -> Vitamins and Derivatives |
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| 蒸気圧 | 0.06 [mmHg] |
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| Physical Description | White to slightly yellow solid[OECD SIDS] Colorless hygroscopic crystals[Sigma-Aldrich MSDS] |
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安全性と法規制
| GHS 分類 | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 60 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| 規制情報 | Chemical: 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-Status: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/166422(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| 有害性の概要 | Not irritating to rabbit skinNot a skin sensitizer in guinea pig maximization testNo reproductive or developmental toxicity observed in sub-chronic oral study of rats at doses up to 1,000 mg/kg/day (mild parental toxicity seen at this dose)[OECD SIDS] May cause irritation[Sigma-Aldrich MSDS] See Pantothenic acid. |
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| Hazard Classes and Categories | Eye Irrit. 2A (100%) |
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