識別子と物理属性
| CAS No. | 26447-28-9 |
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| 分子式 | C5H4O3 |
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| 平均分子量 | 112.08 g/mol |
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| 単同位体質量 | 112.01604399 g/mol |
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| SMILES | O=C(O)c1ccco1 |
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| InChIKey | SMNDYUVBFMFKNZ-UHFFFAOYSA-N |
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| PubChem CID | 6919 |
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| ChEMBL | CHEMBL1232797 |
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| ChEBI | CHEBI:30845 |
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| EC No. | 201-803-0 |
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| DTXSID | DTXSID6041420 |
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化学・物理的性質
| XLogP | 0.5 |
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| 極性表面積 | 50.4 |
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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 | 1 |
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| 重原子数 | 8 |
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| 形式電荷 | 0 |
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| 複雑度 | 99.8 |
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| SpringerMaterials Properties | Boiling point |
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| LogP（分配係数） | 0.64 |
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| 香味料 | EU Flavoring substances |
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| 溶解度 | 37.1 mg/mL at 15 °C |
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| 沸点 | 230.00 to 232.00 °C. @ 760.00 mm Hg149.97°C (rough estimate) |
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| 融点 | 133.5 °C133°C |
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| Physical Description | LiquidSolid |
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| 密度 | 1.2552 (rough estimate) |
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| 屈折率 | 1.4390 (estimate) |
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| EPAの化学物質情報 | Furancarboxylic acid (26447-28-9) |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 34.8% (89 of 256) of reports.WarningH315 (64.5%): 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 256 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 規制情報 | Chemical: 2-Furancarboxylic acidChemical: Furancarboxylic acidCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Furancarboxylic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Furancarboxylic acid 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)Status: Active Update: 01-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/200612-Furancarboxylic acid: 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 - Furancarboxylic acid: Environment tier I assessmentIMAP assessments - 2-Furancarboxylic acid: Human health tier I assessment |
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| Hazard Classes and Categories | Skin Irrit. 2 (64.5%) |
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| TSCA 収載状態 | TSCA listed |
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