2,5,8,11-tetraoxadodecane

• ChemBase编号: 1841
• 分子式: C8H18O4
• 平均质量: 178.22612
• 单一同位素质量: 178.12050906
• SMILES: COCCOCCOCCOC
• Canonical SMILES: COCCOCCOCCOC
• InChI: InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
• InChIKey: YFNKIDBQEZZDLK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5,8,11-tetraoxadodecane
• IUPAC传统名: triglyme
• 别名: 1,2-二(2-甲氧基乙氧基)乙烷; 三乙二醇二甲基醚; 三甘醇二甲醚; 三乙二醇二甲醚; 三甘醇二甲醚; Dimethyltriglycol; Triethylene glycol dimethyl ether; 1-Methoxy-2-[2-(2-Methoxy-Ethoxy]-Ethane; Triglyme; TRIETHYLENE GLYCOL DIMETHYL ETHER; 2,5,8,11-tetraoxadodecane; 1,2-bis(2-methoxyethoxy)ethane; dimethyltriglycoe; 2,5,8,11-Tetraoxadodecane; Ansul Ether 161; DMTG; Glyme 4; Hisolve MTM; Methyltriglyme; NSC 66400; Triethylene Glycol Dimethyl Ether; Triglyme

登记号

• CAS号: 112-49-2
• EC号: 203-977-3
• MDL号: MFCD00008504
• Beilstein号: 1700630
• 默克索引号: 149692
• PubChem SID: 46505275; 24889365; 24900334; 160965296
• PubChem CID: 8189
• 维基百科标题: Triethylene_glycol_dimethyl_ether

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.01637709
• LogD (pH = 7.4): -0.01637709
• Log P: -0.01637709
• 摩尔折射率: 46.143 cm^3
• 极化性: 18.28224 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: -0.09
• LOG S: -1.03
• 溶解度: 1.67e+01 g/l

分子性质

理化性质

• 外观: Colorless liquid
• 熔点: -45 °C(lit.); -45°C; -46°C
• 沸点: 215-216°C; 216 °C(lit.); 216°C
• 闪点: 113 °C; 113°C(235°F); 235.4 °F
• 自燃点: 375 °F
• 密度: 0.98 g/ml; 0.986; 0.986 g/cm^3; 0.986 g/mL at 25 °C(lit.)
• 折射率: 1.4230; n20/D 1.423; n20/D 1.423(lit.)
• 蒸汽密度: >4.7 (vs air)

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Hygroscopic
• RTECS编号: XF0665000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: 3082
• 德国WGK号: 3
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): III
• 澳大利亚Hazchem: 2X
• 危险公开号: 61-19-62; 61-62-19
• 安全公开号: 53-45
• 美国ERG指导号: 171
• TSCA收录: 是
• GHS危险品标识: GHS08
• GHS警示词: Danger
• GHS危险声明: H360; H360Df
• GHS警示性声明: P201-P308 + P313; P281-P201-P202-P308+P313-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 欧盟补充危害声明: May form explosive peroxides.

产品相关信息

• 纯度: ≥98.0% (GC); ≥99.0% (GC); 95+%; 99%
• 级别: absolute; puriss.; purum; ReagentPlus®
• 品质说明: over molecular sieve (H2O ≤0.005%)
• 线性分子式: CH3O(CH2CH2O)3CH3

详细说明

MP Biomedicals - 02157006

1 ml = approx. 0.98 g

DrugBank - DB02078

Drug information: experimental

Sigma Aldrich - T59803

包装
1, 3 kg in poly bottle
18 kg in steel drum
250 g in poly bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - T793800

It is used as a solvent.

参考文献

• Useful aprotic solvent with chelating properties.
• Has been used as solvent in a simplified Wittig synthesis, with anhydrous K ₂ CO ₃ as base and the phosphonium salt, such as Methyltriphenylphosphonium bromide, A15878, acting as both reactant and phase-transfer catalyst: Synth. Commun., 22, 513 (1992).