2-(morpholin-4-yl)ethan-1-ol

• ChemBase编号: 70482
• 分子式: C6H13NO2
• 平均质量: 131.17292
• 单一同位素质量: 131.09462866
• SMILES: C(CN1CCOCC1)O
• Canonical SMILES: OCCN1CCOCC1
• InChI: InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2
• InChIKey: KKFDCBRMNNSAAW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(morpholin-4-yl)ethan-1-ol
• IUPAC传统名: 4-morpholineethanol
• 别名: 2-吗啉乙醇; 4-羟乙基吗啉; 4-(2-羟乙基)吗啉; 4-2-羟乙基吗啉; 2-Morpholinoethanol; 2-Morpholinoethanol; 4-Morpholineethanol; 4-(2-Hydroxyethyl)morpholine; 2-(4-Morpholinyl)ethanol; N-(2-Hydroxyethyl)morpholine; N-(β-Hydroxyethyl)morpholine; NSC 1946; β-Morpholinoethanol; 4-(2-Hydroxyethyl)morpholine; 4-Morpholineethanol; Morpholinoethanol; 4-(2-HYDROXYETHYL)MORPHOLINE; 2-(4-Morpholino)ethyl Alcohol; 2-(4-Morpholinyl)-1-ethanol

登记号

• CAS号: 622-40-2
• EC号: 210-734-5
• MDL号: MFCD00006180
• Beilstein号: 104375
• PubChem SID: 24895537; 24878292; 162036198
• PubChem CID: 61163

理论计算性质

• Acid pKa: 15.59298
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.413004
• LogD (pH = 7.4): -0.9279184
• Log P: -0.718433
• 摩尔折射率: 35.3549 cm^3
• 极化性: 13.90578 Å^3
• 极化表面积: 32.7 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 1-2°C
• 沸点: 226-228°C; 227 °C/757 mmHg(lit.)
• 闪点: 208.4 °F; 98 °C; 99°C(210°F)
• 密度: 1.08 g/ml; 1.080; 1.083 g/mL at 25 °C(lit.)
• 折射率: 1.4775; n20/D 1.476(lit.); n20/D 1.478

安全信息

• 保存条件: 2-8°C
• 保存注意事项: IRRITANT
• RTECS编号: QE3510000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36/37/38; 37/38-41; R:36/37/38
• 安全公开号: 26-36; 26-37/39; S:20-25-26-37/39
• TSCA收录: false; 是
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H318-H315-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥95.0% (GC); ≥99.0% (GC); 95+%; 97%; 98%; 99%
• 级别: purum; ReagentPlus®
• 痕量阳离子: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Empirical Formula (Hill Notation): C6H13NO2

详细说明

MP Biomedicals - 02157445

1 ml = approx. 1.08 g

Sigma Aldrich - H28203

包装
5, 100, 250 g in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 54409

Other Notes
在戊二醛与聚乙烯醇的交联反应中，用作聚苯乙烯颗粒凝胶电泳的凝胶缓冲剂组分1

Toronto Research Chemicals - M723750

4-(2-Hydroxyethyl)morpholine is a morphiline derivative used in the preparation of ester prodrugs of naproxen. 4-(2-Hydroxyethyl)morpholine was also shown to induce repair in rat hepatocyte primary culture/DNA.

参考文献

• Conaway, C.C. et al.: Mutat. Res. Gen. Toxicol. Test., 136, 153 (1984)
• Tsai, S.-W. et al.: Chem. Technol. Biotechnol., 74, 751 (1984)