識別子と物理属性
| CAS No. | 1002-84-2 |
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| 分子式 | C15H30O2 |
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| 平均分子量 | 242.4 g/mol |
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| 単同位体質量 | 242.2245802 g/mol |
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| SMILES | CCCCCCCCCCCCCCC(=O)O |
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| InChIKey | WQEPLUUGTLDZJY-UHFFFAOYSA-N |
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| PubChem CID | 13849 |
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| ChEMBL | CHEMBL460025 |
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| ChEBI | CHEBI:42504 |
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| EC No. | 213-693-1 |
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| DTXSID | DTXSID2021652 |
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化学・物理的性質
| XLogP | 5.8 |
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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 | 13 |
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| 重原子数 | 17 |
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| 形式電荷 | 0 |
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| 複雑度 | 166 |
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| 融点 | 52.3 °C53 °C |
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| Physical Description | Other SolidWhite crystalline solid[Alfa Aesar MSDS] |
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| Kovats Retention Index | 18231844184518391860186518671869186818401843185718421867.11868.418631878188718721833187718902791277928192821282228092839.5 |
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| Collision Cross Section | 165.1 Ų [M-H]- [CCS Type: DTBuffer gas: N2Sample Type: Human bronchoalveolar lavage fluid (BALF)Dataset: Unambiguous Lipids]162.72 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]165.34 Ų [M-H]- [CCS Type: DTMethod: stepped-field]165.59 Ų [M-H]- [CCS Type: DT165 Ų [M-H]- |
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| 沸点 | 339.1 °C |
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| 密度 | 0.895±0.06 g/cm3(Predicted) |
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| pKa（酸解離定数） | 4.78±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 0.7% (1 of 140) of reports.WarningH315 (99.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (99.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 140 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 140 reports by companies.There are 8 notifications provided by 139 of 140 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: Pentadecanoic acidPentadecanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentadecanoic 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)Pentadecanoic 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 - Pentadecanoic acid: Human health tier I assessmentEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
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| 有害性の概要 | Causes convulsions in intravenous lethal-dose studies of mice (LD50 = 54 mg/kg)[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] |
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| Hazard Classes and Categories | Skin Irrit. 2 (99.3%)Eye Irrit. 2 (99.3%)STOT SE 3 (95.7%) |
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| Protective Action Criteria (PAC) | 0.18 [mg/m3]1.9 [mg/m3]12 [mg/m3] |
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| 注意喚起語 | 警告 |
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| 危険有害性情報 | コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H315 |
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