識別子と物理属性
| CAS No. | 110-97-4 |
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| 分子式 | C6H15NO2 |
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| 平均分子量 | 133.19 g/mol |
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| 単同位体質量 | 133.11027872 g/mol |
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| SMILES | CC(O)CNCC(C)O |
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| InChIKey | LVTYICIALWPMFW-UHFFFAOYSA-N |
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| PubChem CID | 8086 |
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| ChEMBL | CHEMBL2106303 |
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| ChEBI | CHEBI:143266 |
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| EC No. | 203-820-9 |
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| DTXSID | DTXSID8020179 |
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化学・物理的性質
| XLogP | -0.8 |
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| 極性表面積 | 52.5 |
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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 | 3 |
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| 回転可能結合数 | 4 |
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| 重原子数 | 9 |
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| 形式電荷 | 0 |
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| 複雑度 | 60.1 |
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| 物質分類 | Nitrogen Compounds -> Amines, Aliphatic |
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| Polymers | Plastics -> N.a.Plastics -> Other stabilisers |
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| 化粧品 | Cosmetic ingredients (Diisopropanolamine) -> CIR (Cosmetic Ingredient Review) |
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| pH | pH of 5% aqueous solution = 11.5 |
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| LogP（分配係数） | log Kow= -0.82 |
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| 密度 | 0.99 at 107.6 °F (USCG, 1999) - Less dense than waterwill float0.989 at 20 °C/4 °CRelative density (water = 1): 0.99 |
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| Viscosity | 1.98 cP at 45 °C |
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| Color/Form | White waxy solid |
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| 溶解度 | Soluble (>=10 mg/ml) (NTP, 1992)Miscible in alcohol. Slightly soluble in toluene. Insoluble in hydrocarbons.In water, 8.6X10+5 mg/L at 25 °CSolubility in water, g/100ml at 20 °C: 87 |
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| 引火点 | 259 °F (NTP, 1992)255 °F (127 °C) (open cup)127 °C o.c. |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| 沸点 | 480.2 °F at 760 mmHg (NTP, 1992)249 °C248 °C |
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安全性と法規制
| GHS 分類 | WarningH319: 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)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1635) of reports.DangerH318 (51.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
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| 規制情報 | Chemical: 2-Propanol, 1,1'-iminobis-2-Propanol, 1,1'-iminobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1,1'-iminobis- 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: 24-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13889Diisopropanolamine: 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 - 2-Propanol, 1,1'-iminobis-: Human health tier I assessment |
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| 火災危険 | This compound is combustible. (NTP, 1992)Combustible. Finely dispersed particles form explosive mixtures in air. |
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| 火災の可能性 | Combustible when exposed to heat or flame...Propanolamines burn when exposed to heat, flame, sparks, and powerful oxidizers. /Propanolamines/ |
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| 健康有害性 | Vapor concentrations too low to irritate unless exposure is prolonged. Liquid will burn eyes and skin. (USCG, 1999) |
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| 有害性の概要 | A skin, eye, and nasal irritantNo allergic or photoallergic dermatitis observed in 25 volunteersWeak skin sensitization reported from occupational exposureCauses burns to rabbit eyesCauses severe necrosis to rabbit skin[HSDB] An eye irritant[eChemPortal: ESIS] Hypothermia, diarrhea, uncoordinated movements, and seizures observed in lethal-dose animal studies[IUCLID] No effects on fetal development when administered by gavage to pregnant ratsNo data on effects to human pregnancy[REPROTOX] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract |
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