識別子と物理属性
| CAS No. | 102-71-6 |
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| 分子式 | C6H15NO3 |
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| 平均分子量 | 149.19 g/mol |
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| 単同位体質量 | 149.10519334 g/mol |
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| SMILES | OCCN(CCO)CCO |
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| InChIKey | GSEJCLTVZPLZKY-UHFFFAOYSA-N |
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| PubChem CID | 7618 |
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| ChEMBL | CHEMBL446061 |
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| ChEBI | CHEBI:28621 |
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| EC No. | 203-049-8 |
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| DTXSID | DTXSID9021392 |
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化学・物理的性質
| XLogP | -1 |
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| 極性表面積 | 63.9 |
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| 水素結合供与体数 | 3 |
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| 水素結合受容体数 | 4 |
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| 回転可能結合数 | 6 |
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| 重原子数 | 10 |
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| 形式電荷 | 0 |
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| 複雑度 | 55 |
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| pH | pH = 10.5 (0.1 N aqueous solution)strong base |
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| LogP（分配係数） | -1.59log Kow = -1.00-2.3 |
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| 臭い | Slight ammonical odor |
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| 密度 | 1.13 at 68 °F (USCG, 1999) - Denser than waterwill sink1.1242 at 20 °C/4 °C1.0985 at 60 °C/4 °CRelative density (water = 1): 1.11.1242 @ 20°C |
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| Viscosity | 590.5 cP at 25 °C65.7 cP at 60 °C |
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| Color/Form | Viscous liquidColorlessPale-yellow |
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| 溶解度 | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)MiscibleIn water, 1.0X10+6 mg/L (miscible) at 25 °CMiscible with water, methanol, acetonesoluble in benzene (4.2%), ether (1.6%), carbon tetrachloride (0.4%), n-heptane (<0.1%)Soluble in chloroformSlightly soluble in petroleum ether |
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| 引火点 | 365 °F (NTP, 1992)179 °C179 °C (354 °F) - closed cup190.5 °C (Open cup)354 °F (179 °C) (closed cup) |
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| 沸点 | 635.7 °F at 760 mmHg (Decomposes) (NTP, 1992)335.4350 °CBP: 335.4 °C335.40 °C. @ 760.00 mm Hg |
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| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx).When heated to decomposition it emits toxic fumes of /nitrogen oxides and hydrogen cyanides/. |
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| 融点 | 70.9 °F (NTP, 1992)21.621.5 °CCrystals from ethanolmp: 177 °C /Triethanolamine hydrochloride/20.5 °C21.6 °C |
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| 蒸気密度 | 5.14 (NTP, 1992) - Heavier than airwill sink (Relative to Air)5.1 (Air = 1)Relative vapor density (air = 1): 5.1 |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 80.1% (4848 of 6052) of all reports.WarningH319 (18.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 6052 reports by companies from 39 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 4848 of 6052 reports by companies.There are 35 notifications provided by 1204 of 6052 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: Ethanol, 2,2',2''-nitrilotris-Regulation (EC) No 1935/2004 (amended)Ethanol, 2,2',2''-nitrilotris- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2',2''-nitrilotris- 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: 24-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15134Status: Active Update: 16-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34554Triethanolamine: 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 - Ethanol, 2,2',2''-nitrilotris-: Human health tier II assessmentEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
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| 火災危険 | Special Hazards of Combustion Products: Poisonous gases, such as NOx, may be produced (USCG, 1999)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
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| 火災の可能性 | Fire hazard: Combustible liquid when exposed to heat or flame. |
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| 健康有害性 | Liquid may irritate eyes and skin. (USCG, 1999) |
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