識別子と物理属性
| CAS No. | 2027-47-6 |
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| 分子式 | C18H34O2 |
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| 平均分子量 | 282.5 g/mol |
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| 単同位体質量 | 282.25588033 g/mol |
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| SMILES | CCCCCCCCC=CCCCCCCCC(=O)O |
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| InChIKey | ZQPPMHVWECSIRJ-UHFFFAOYSA-N |
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| PubChem CID | 965 |
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| EC No. | 217-977-6 |
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| DTXSID | DTXSID7048118 |
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| 現地名 | 9-オクタデセン酸 |
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化学・物理的性質
| XLogP | 6.5 |
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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 | 15 |
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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 | 234 |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| 融点 | 52.5 °C |
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| 沸点 | 160-165 °C(Press: 0.0002 Torr) |
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| 密度 | 0.926 g/cm3 |
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| pKa（酸解離定数） | 4.78±0.10(Predicted) |
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| EPAの化学物質情報 | 9-Octadecenoic acid (2027-47-6) |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.Not ClassifiedAggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement) |
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| 規制情報 | 9-Octadecenoic acid: 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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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Not Classified |
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| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
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| TSCA 収載状態 | TSCA listed |
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