識別子と物理属性
| CAS No. | 31389-11-4 |
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| 分子式 | C15H32O |
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| 平均分子量 | 228.41 g/mol |
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| 単同位体質量 | 228.24531564 g/mol |
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| SMILES | CCCCCCCCCCCCCCCO |
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| InChIKey | REIUXOLGHVXAEO-UHFFFAOYSA-N |
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| PubChem CID | 12397 |
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| ChEMBL | CHEMBL26561 |
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| ChEBI | CHEBI:77468 |
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| EC No. | 211-107-9 |
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| DTXSID | DTXSID0027270 |
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化学・物理的性質
| XLogP | 6.8 |
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| 極性表面積 | 20.2 |
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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 | 1 |
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| 回転可能結合数 | 13 |
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| 重原子数 | 16 |
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| 形式電荷 | 0 |
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| 複雑度 | 112 |
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| 密度 | 0.829 at 122 °F (USCG, 1999) - Less dense than waterwill float0.8364 g/cm3(Temp: 22.4 °C) |
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| 沸点 | 572 °F at 760 mmHg (USCG, 1999)298.00 to 299.00 °C. @ 760.00 mm Hg122-125 °C(Press: 0.35 Torr) |
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| 融点 | 111 °F (USCG, 1999)45 - 46 °C45-46 °C |
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| 蒸気圧 | 0.000038 [mmHg] |
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| Physical Description | Pentadecanol is a colorless liquid with a faint odor of alcohol. Floats on water. (USCG, 1999)Solid[Reference #1] White solid[Alfa Aesar MSDS] |
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| Kovats Retention Index | 17911765.1177717321772177617661768175517611788.91775177817871794178917711774174917542257225422412278225022792287227222862243 |
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| pKa（酸解離定数） | 15.20±0.10(Predicted) |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 99.8% (532 of 533) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 532 of 533 companies (only 0.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 533 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 532 of 533 reports by companies.There is 1 notification provided by 1 of 533 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| 規制情報 | Chemical: 1-PentadecanolCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Pentadecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Pentadecanol 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)1-Pentadecanol: 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 - 1-Pentadecanol: Human health tier I assessment |
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| 健康有害性 | Low toxicity. Excessive exposure produces some central nervous system depression. Prolonged contact produces skin irritation. (USCG, 1999) |
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| 有害性の概要 | Low toxicity, but overexposure can cause CNS depression and prolonged skin contact causes irritation[CHRIS] Aliphatic alcohols are metabolized and eliminated efficientlyNot skin sensitizersMay have low-grade liver effectsCNS depression seen in shorter chain alcohols, e.g., 1-hexanol and 1-octanolNo evidence of adverse effects on reproductive organs, fertility, or the developing fetus in repeated dose animal studiesNot likely to be carcinogenic[Reference #1] May cause irritation |
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