triethylamine

• ChemBase编号: 92603
• 分子式: C6H15N
• 平均质量: 101.19
• 单一同位素质量: 101.12044949
• SMILES: N(CC)(CC)CC
• Canonical SMILES: CCN(CC)CC
• InChI: InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
• InChIKey: ZMANZCXQSJIPKH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: triethylamine
• IUPAC传统名: TEN; triethylamine
• 别名: 三乙基胺; 三乙胺; (Diethylamino)ethane; Triethylamine 99%; Diethylaminoethane; N,N-Diethylethanamine; TRIETHYLAMINE; TRIETHYLAMINE, CERTIFIED GRADE; TRIETHYLAMINE, HPLC GRADE; N,N-Diethylethanamine; N,N,N-Triethylamine; Triethylamine

登记号

• CAS号: 121-44-8
• EC号: 204-469-4
• MDL号: MFCD00009051
• Beilstein号: 1843166; 605283
• 默克索引号: 149666
• PubChem SID: 24901993; 24889349; 24889347; 24850800; 24889345; 24889348; 24870713; 24884389; 24899917; 162079301
• PubChem CID: 8471
• CHEBI ID: 35026
• CHEMBL: 284057
• Chemspider ID: 8158
• FEMA编号: 4246
• KEGG ID: C14691
• 医学主题词(MeSH): triethylamine
• 美国药典/FDA物质标识码: VOU728O6AY
• 维基百科标题: Triethylamine
• Flavis Number: 11.023

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -2.2147028
• LogD (pH = 7.4): -1.4690653
• Log P: 1.2605933
• 摩尔折射率: 34.2339 cm^3
• 极化性: 13.342089 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Colourless liquid; Liquid
• 熔点: -114.70°C (158.45K); -115 °C; -115 °C(lit.); -115°C; -115°C
• 沸点: 88.55 - 89.75°C (361.7 - 362.9 K); 88.8 °C(lit.); 89-90°C; 89-90°C; 90 °C
• 闪点: -11°C(12°F); -15 °C; 5 °F; -6°C; 69 hPa at 20 °C (closed cup and DIN 51755)
• 自燃点: 215 °C (DIN 51794); 312 °C; 593 °F
• 密度: .73 g/cm^3 at 20 °C; 0.7255 g mL^-1; 0.726; 0.726 g/mL at 25 °C(lit.); 0.727 g/mL at 20 °C
• 折射率: 1.4005; 1.401; n20/D 1.401; n20/D 1.401(lit.)
• 蒸汽压: 51.75 mmHg ( 20 °C); 6.899–8.506 kPa; 69 hPa at 20 °C
• 蒸汽密度: 3.48 (air = 1); 3.5 (vs air)
• 分配系数: 1.647
• 亨利常数: 66 μmol Pa^-1 kg^-1
• 气味: Fishy, ammoniacal
• 热容: 216.43 J K^-1 mol^-1
• 标准摩尔燃烧焓 (ΔcH^o298): -4.37763–-4.37655 MJ mol^-1
• 标准摩尔生成焓 (ΔfH^o298): -169 kJ mol^-1

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Highly Flammable/Corrosive/Harmful
• RTECS编号: YE0175000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); X
• 联合国危险货物编号: 1296; UN1296
• 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: 3WE
• 危险公开号: 11-20/21/22-35; R:11-20/21/22-35-53; r11, r20/21/22, r35
• 安全公开号: 1/2-3-16-26-29-36/37/39-45; 3-16-26-29-36/37/39-45; S:3-16-26-29-45-36/37/39; s1/2, s3, s16, s26, s29, s36/37/39
• 欧盟危险货物分类: FC
• 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: 612-004-00-5
• GHS危险品标识: GHS corrosion; GHS exclamation mark; GHS flame; GHS02; GHS05; GHS07
• GHS警示词: DANGER; Danger
• NFPA704:
  

  3

  3

  0
• 半数致死量: 580 mg kg^-1 (dermal, rabbit); 730 mg kg^-1 (oral, rat)
• 爆炸极限: 1.2–8%; 8 %
• GHS危险声明: 225, 302, 312, 314, 332; H225-H302-H312-H314-H332; H225-H314-H302-H312-H332
• GHS警示性声明: 210, 280, 305+351+338, 310; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-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 1296 3/PG 2
• 保存温度: 2-8°C; room temp

产品相关信息

• 纯度: ≥98%; ≥98.0%; ≥98.0% (GC); ≥99%; ≥99% (GC); ≥99.5%; ≥99.5% (GC); 99%; 99.5%; 99+%
• 级别: eluent additive for LC-MS; for amino acid analysis; for HPLC; for protein sequence analysis; HPLC; NI; puriss. p.a.; purum; SAJ first grade; SAJ special grade
• 适用性: corresponds to standard for RP gradient test; passes test for LC-MS
• 蒸发残渣: ≤0.003%
• 杂质: ≤0.003% non-volatile matter; ≤0.1% (Karl Fischer); ≤0.1% water; ≤0.5% water; ≤0.5% water (Karl Fischer); insoluble matter, passes filter test
• 痕量阳离子: Al: ≤0.2 mg/kg; Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mn: ≤0.02%; Mo: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• 有效期: (limited shelf life, expiry date on the label)
• 品质说明: ampule
• 产品线: BioUltra
• abs.: absorption/278 nm cut-off
• 线性分子式: (C2H5)3N

详细说明

MP Biomedicals - 02157003

Purity: >98%
1 ml = approx. 0.73 g

Sigma Aldrich - 90337

Application
酸性、碱性和中性药物 RP-HPLC 分离中的流动相改性剂。通过抑制拖尾提高氨基酸和氨基酸酰胺的 HPLC 分离度。

Sigma Aldrich - 65897

Application
酸性、碱性和中性药物 RP-HPLC 分离中的流动相改性剂。通过抑制拖尾提高氨基酸和氨基酸酰胺的 HPLC 分离度。

Sigma Aldrich - 90338

Application
Conversion of the Beckman liquid phase sequencer to a gas-liquid phase sequencer1
酸性、碱性和中性药物 RP-HPLC 分离中的流动相改性剂。通过抑制拖尾提高氨基酸和氨基酸酰胺的 HPLC 分离度。

Sigma Aldrich - W424601

Application
酸性、碱性和中性药物 RP-HPLC 分离中的流动相改性剂。通过抑制拖尾提高氨基酸和氨基酸酰胺的 HPLC 分离度。
包装
1 kg in glass bottle
8 kg in steel drum
1 sample in glass bottle
20 kg in comp drum

Sigma Aldrich - 16304

Application
酸性、碱性和中性药物 RP-HPLC 分离中的流动相改性剂。通过抑制拖尾提高氨基酸和氨基酸酰胺的 HPLC 分离度。

Sigma Aldrich - 90335

Application
酸性、碱性和中性药物 RP-HPLC 分离中的流动相改性剂。通过抑制拖尾提高氨基酸和氨基酸酰胺的 HPLC 分离度。
Other Notes
Component of volatile buffer system in ion-exchange HPLC of oligonucleotides1

Sigma Aldrich - 471283

Application
酸性、碱性和中性药物 RP-HPLC 分离中的流动相改性剂。通过抑制拖尾提高氨基酸和氨基酸酰胺的 HPLC 分离度。
包装
100, 500, 6×500 mL in Sure/Seal™
200 L in Kilo-Lab™
18 L in steel drum
2 L in Sure/Seal™
4, 4×4 L in glass bottle

Sigma Aldrich - T0886

Application
酸性、碱性和中性药物 RP-HPLC 分离中的流动相改性剂。通过抑制拖尾提高氨基酸和氨基酸酰胺的 HPLC 分离度。
包装
1 L in glass bottle
10, 100, 500 mL in glass bottle

Sigma Aldrich - 543969

Application
酸性、碱性和中性药物 RP-HPLC 分离中的流动相改性剂。通过抑制拖尾提高氨基酸和氨基酸酰胺的 HPLC 分离度。
Legal Information
Arkema Inc. 产品

Sigma Aldrich - 39428

Application
酸性、碱性和中性药物 RP-HPLC 分离中的流动相改性剂。通过抑制拖尾提高氨基酸和氨基酸酰胺的 HPLC 分离度。

Sigma Aldrich - 90342

Application
酸性、碱性和中性药物 RP-HPLC 分离中的流动相改性剂。通过抑制拖尾提高氨基酸和氨基酸酰胺的 HPLC 分离度。

Sigma Aldrich - 90340

Application
酸性、碱性和中性药物 RP-HPLC 分离中的流动相改性剂。通过抑制拖尾提高氨基酸和氨基酸酰胺的 HPLC 分离度。

Sigma Aldrich - 17924

Application
酸性、碱性和中性药物 RP-HPLC 分离中的流动相改性剂。通过抑制拖尾提高氨基酸和氨基酸酰胺的 HPLC 分离度。

Sigma Aldrich - 30-4210

Application
酸性、碱性和中性药物 RP-HPLC 分离中的流动相改性剂。通过抑制拖尾提高氨基酸和氨基酸酰胺的 HPLC 分离度。

Sigma Aldrich - 30-4200

Application
酸性、碱性和中性药物 RP-HPLC 分离中的流动相改性剂。通过抑制拖尾提高氨基酸和氨基酸酰胺的 HPLC 分离度。

参考文献

• The apparent base strength of triethylamine has been increased by its use in combination with certain metal salts, examined by Rathke. For the acylation of malonic esters with acyl chlorides, MgCl₂ was found to be effective, whereas other metal salts had no effect: J. Org. Chem., 50, 2622 (1985); Synth. Commun., 15, 1039 (1985); Tetrahedron, 48, 9233 (1993). For the Horner-Wadsworth-Emmons olefination reaction, LiBr or LiCl gave the best results under most conditions, although Mg salts showed some effect; other metal salts were ineffective: J. Org. Chem., 50, 2624 (1985).
• Addition of triethylamine enables the reaction of Grignard reagents with esters to be interrupted at the ketone stage. Deuterium-labelling shows that this is caused by enolization of the ketone. Good yields are obtained unless the ester itself is readily enolized: Synthesis, 877 (1980).