識別子と物理属性
| CAS No. | 2197-37-7 |
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| 分子式 | C18H32O2 |
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| 平均分子量 | 280.4 g/mol |
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| 単同位体質量 | 280.24023026 g/mol |
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| SMILES | CCCCCC=CCC=CCCCCCCCC(=O)O |
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| InChIKey | OYHQOLUKZRVURQ-UHFFFAOYSA-N |
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| PubChem CID | 3931 |
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| EC No. | 287-896-9 |
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| DTXSID | DTXSID2075059 |
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化学・物理的性質
| XLogP | 6.8 |
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| 極性表面積 | 37.3 |
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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 | 2 |
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| 回転可能結合数 | 14 |
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| 重原子数 | 20 |
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| 形式電荷 | 0 |
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| 複雑度 | 267 |
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| 化粧品 | Emollient |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 82.5% (175 of 212) of all reports.WarningH226 (17%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 212 reports by companies from 3 notifications to the ECHA C&L Inventory. |
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| 規制情報 | Chemical: 9,12-Octadecadienoic acidChemical: Grape seed oilGrapeseed oil: 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 - 9,12-Octadecadienoic acid: Environment tier I assessmentIMAP assessments - Oils, grape: Environment tier I assessment |
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| EPA Safer Chemical | Chemical: Grape seed oil |
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| Hazard Classes and Categories | Flam. Liq. 3 (17%) |
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