2-(diethylamino)ethan-1-ol

• ChemBase编号: 123320
• 分子式: C6H15NO
• 平均质量: 117.1894
• 单一同位素质量: 117.11536411
• SMILES: N(CCO)(CC)CC
• Canonical SMILES: OCCN(CC)CC
• InChI: InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
• InChIKey: BFSVOASYOCHEOV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(diethylamino)ethan-1-ol
• IUPAC传统名: DEAE
• 别名: N,N-二乙基乙醇胺; 二乙氨基乙醇; 2-(二乙基氨基)乙醇; DEAE; DEEA; N,N-Diethylethanolamine; 2-(Diethylamino)ethanol; 2-(diethylamino)ethanol; Diethylaminoethanol; 2-Diethylaminoethanol; N,N-Diethyl-2-aminoethanol; N,N-Diethylethanolamine; Diethyl(2-hydroxyethyl)amine; (2-Hydroxyethyl)diethylamine; Diethylethanolamine; N-(2-Hydroxyethyl)diethylamine

登记号

• CAS号: 100-37-8
• EC号: 202-845-2
• MDL号: MFCD00002850
• Beilstein号: 741863
• 默克索引号: 143112
• PubChem SID: 24870721; 162217673; 24849409; 24859090
• PubChem CID: 7497
• CHEBI ID: 52153
• CHEMBL: 1183
• Chemspider ID: 13842001
• 医学主题词(MeSH): 2-diethylaminoethanol
• 维基百科标题: Diethylethanolamine

理论计算性质

• Acid pKa: 15.593297
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.180597
• LogD (pH = 7.4): -1.9247404
• Log P: 0.21368337
• 摩尔折射率: 35.7776 cm^3
• 极化性: 13.926987 Å^3
• 极化表面积: 23.47 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Colourless liquid
• 熔点: -70°C
• 沸点: 161 °C(lit.); 161.05°C (434.2K); 161-163°C
• 闪点: 122 °F; 50 °C; 52°C(125°F)
• 密度: 0.883; 0.884 g/mL at 25 °C(lit.); 884 mg mL^-1
• 折射率: 1.441–1.442; 1.4415; n20/D 1.441(lit.); n20/D 1.442
• 蒸汽压: 1 mmHg ( 20 °C); 100 Pa (at 20 °C)
• 蒸汽密度: 4.04 (vs air)
• 分配系数: 0.769
• 气味: Ammoniacal

安全信息

• RTECS编号: KK5075000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X
• 联合国危险货物编号: 2686; UN2686
• 德国WGK号: 1
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 10-20/21/22-34; r10, r20/21/22, r34
• 安全公开号: 25-26-36/37/39-45; s1/2, s25, s26, s36/37/39, s45
• TSCA收录: 是
• 欧盟危险品索引: 603-048-00-6
• 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: 1.113 g kg^-1 (dermal, rabbit); 1.3 g kg^-1 (oral, rat)
• 爆炸极限: 1.4–11.7%; 11.7 %
• GHS危险声明: 226, 302, 312, 314, 317, 332; H226-H302-H312-H314-H317-H332; H314-H318-H226-H302-H312-H332
• GHS警示性声明: 280, 305+351+338, 310; P280-P262-P303+P361+P353-P305+P351+P338-P310; 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 2686 8/PG 2

产品相关信息

• 纯度: ≥99% (GC); ≥99.0% (GC); ≥99.5%; 99%
• 级别: purum
• 杂质: ≤0.5% water (Karl Fischer)
• 线性分子式: (C2H5)2NCH2CH2OH

详细说明

Sigma Aldrich - 471321

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