2-(dimethylamino)ethan-1-ol

• ChemBase编号: 102906
• 分子式: C4H11NO
• 平均质量: 89.13624
• 单一同位素质量: 89.08406398
• SMILES: CN(C)CCO
• Canonical SMILES: OCCN(C)C
• InChI: InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
• InChIKey: UEEJHVSXFDXPFK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethylamino)ethan-1-ol
• IUPAC传统名: dimethylaminoethanol
• 别名: N,N-二甲乙醇胺; N,N-二甲基-2-羟基乙胺; 2-二甲氨基乙醇; 2-(二甲基氨)乙醇; N,N-Dimethylethanolamine; N,N-Dimethyl-2-hydroxyethylamine; 2-DIMETHYLAMINO ETHANOL; DIMETHYLETHANOLAMINE; Deanol; Dimethylamino ethanol; DMEA; Jeffcat DMEA; 2-Dimethylaminoethanol; 2-(Dimethylamino)ethanol; 2-(Dimethylamino)ethanol

登记号

• CAS号: 108-01-0
• EC号: 203-542-8
• MDL号: MFCD00002846
• Beilstein号: 1209235
• 默克索引号: 142843
• PubChem SID: 24870734; 162088305; 24864369
• PubChem CID: 7902
• CHEBI ID: 271436
• ATC码: N06BX04
• CHEMBL: 1135
• Chemspider ID: 13854944
• KEGG ID: D07777
• 医学主题词(MeSH): Deanol
• 美国药典/FDA物质标识码: 2N6K9DRA24
• 维基百科标题: Dimethylethanolamine

理论计算性质

• LogD (pH = 5.5): -3.7138884
• LogD (pH = 7.4): -2.1329925
• Log P: -0.49993256
• 摩尔折射率: 26.2804 cm^3
• 极化性: 10.242338 Å^3
• 极化表面积: 23.47 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true
• Acid pKa: 15.594408
• 质子受体: 2
• 质子供体: 1

分子性质

理化性质

• 外观: Colourless liquid
• 熔点: -59 °C (-74 °F); -59°C; -59.00°C (214.15K); -60°C; -70 °C(lit.)
• 沸点: 134.05°C (407.2K); 134-136 °C(lit.); 134-136°C; 135 °C (275 °F); 135°C
• 闪点: 102.2 °F; 39 °C; 40°C; 40°C(104°F)
• 自燃点: 295 °C (563 °F)
• 密度: 0.886; 0.886 g/mL at 20 °C(lit.); 0.8864 at 20 °C (water = 1); 0.8864 g/ml; 890 mg mL^-1
• 折射率: 1.4294; 1.4295; n20/D 1.4294(lit.); n20/D 1.430
• 蒸汽压: 100 mmHg ( 55 °C); 4 mm Hg (0.5 kPa) at 20 °C; 6.12 mmHg ( 20 °C); 816 Pa (at 20 °C)
• 蒸汽密度: 3.07 (air = 1)
• 分配系数: -0.25
• pKa: 9.23 (at 20 °C)
• pKb: 4.77 (at 20 °C)
• 气味: Fishy, ammoniacal

安全信息

• 保存条件: Room Temperature (15-30°C), Store Under Nitrogen
• 保存注意事项: Hygroscopic
• RTECS编号: KK6125000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X
• 联合国危险货物编号: 2051; UN2051
• 德国WGK号: 1
• 联合国危险货物等级: 3; 8
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 2W
• 危险公开号: 10-20/21/22-34; R:10-20/21/22-34; r10, r20/21/22, r34
• 安全公开号: 1/2-25-26-36/37/39-45; 25-26-36/37/39-45; S:25-26-45-36/37/39; s1/2, s25, s26, s36/37/39, s45
• 欧盟危险货物分类: CF1
• 欧盟危险识别号(EUHIN): 8A
• 美国ERG指导号: 132
• TSCA收录: 是
• 欧盟危险品索引: 603-047-00-0
• GHS危险品标识: GHS corrosion; GHS exclamation mark; GHS flame; GHS02; GHS05; GHS07
• GHS警示词: DANGER; Danger
• 半数致死量: 1.214 g kg^-1 (dermal, rabbit); 2 g kg^-1 (oral, rat)
• 爆炸极限: 1.4–12.2%
• GHS危险声明: 226, 302, 312, 314, 332; H226-H302-H312-H314-H332; H314-H226-H302-H312-H332
• GHS警示性声明: 280, 305+351+338, 310; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2051 8/PG 2

产品相关信息

• 纯度: ≥98.0% (GC); ≥99% (GC); ≥99.0%; ≥99.5%; 95+%; 99+%
• 级别: purum; SAJ first grade
• 杂质: ≤0.5% water (Karl Fischer)
• 提纯方法: redistillation
• 线性分子式: (CH3)2NCH2CH2OH

详细说明

MP Biomedicals - 05222259

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02105236

1 ml = approx. 0.89 g

Sigma Aldrich - 391263

包装
100, 800 mL in Sure/Seal™

Sigma Aldrich - 471453

包装
100, 500 mL in glass bottle
18 L in comp drum
2 L in glass bottle

参考文献

• In the presence of 2 mol of n-BuLi, forms a unimetal superbase complex of the Li alkoxide with an additional molecule of n-BuLi: J. Chem. Soc., Perkin 1, 3071 (1997). For examples of its use, see 2-Methoxypyridine, A13675, 2-Chloropyridine, A14866.