1-methoxy-2-(2-methoxyethoxy)ethane

• ChemBase编号: 2644
• 分子式: C6H14O3
• 平均质量: 134.17356
• 单一同位素质量: 134.09429431
• SMILES: COCCOCCOC
• Canonical SMILES: COCCOCCOC
• InChI: InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3
• InChIKey: SBZXBUIDTXKZTM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methoxy-2-(2-methoxyethoxy)ethane
• IUPAC系统名: 1-Methoxy-2-(2-methoxyethoxy)ethane
• IUPAC传统名: diglyme
• 别名: 2-甲氧基乙基醚; `二甘醇二甲醚'; 二甲基卡必醇; 双(2-甲氧基乙基)醚; 二乙二醇二甲醚; Di(2-methoxyethyl) ether; Diethylene glycol dimethyl ether; Diglyme; ‘Diglyme’; Diethylene glycol dimethyl ether; 1-Methoxy-2-(2-Methoxyethoxy)Ethane; Diglyme; 2-Methoxyethyl ether; Bis(2-methoxyethyl) ether; Dimethyldiglycol; DIETHYLENE GLYCOL DIMETHYL ETHER; 1,1'-Oxybis[2-methoxyethane]; Bis(2-methoxyethyl)Ether; 1,5-Dimethoxy-3-oxapentane; 1-(2-Methoxyethoxy)-2-methoxyethane; 2,5,8-Trioxanonane; Dimethyl Carbitol; Dimethyl Digol; Glyme 2; Glyme 3; Hisolve MDM; NSC 59726

登记号

• CAS号: 111-96-6
• EC号: 203-924-4
• MDL号: MFCD00008503
• Beilstein号: 1736101
• 默克索引号: 143165
• PubChem SID: 24856987; 24896645; 160966093; 24845688; 24859294; 46506526; 24855523; 24859292
• PubChem CID: 8150
• CHEBI ID: 46784
• Chemspider ID: 13839575
• DrugBank ID: DB02935
• 美国药典/FDA物质标识码: M4BH3X0MVZ
• 维基百科标题: Diglyme

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.030598419
• LogD (pH = 7.4): 0.030598419
• Log P: 0.030598419
• 摩尔折射率: 35.0995 cm^3
• 极化性: 13.889778 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 0.12
• LOG S: -0.34
• 溶解度: 6.09e+01 g/l

分子性质

理化性质

• 溶解度: miscible in water
• 外观: APHA: ≤10
• 熔点: -64 °C; -64 °C(lit.); -64°C; -64°C
• 沸点: 155 - 165 °C at 1013 hPa; 161-162°C; 162 °C(lit.); 162°C
• 闪点: 134.6 °F; 51 °C (closed cup); 51°C(124°F); 57 °C; 57°C (134.6°F)
• 自燃点: 190 °C at 1013 hPa (DIN 51794); 370 °F
• 密度: .943 - .945 g/cm^3 at 20 °C; 0.937 g/mL; 0.943 g/mL at 25 °C(lit.); 0.944
• 折射率: 1.4080; n20/D 1.408; n20/D 1.408(lit.)
• 蒸汽压: 2.3 hPa at 20 °C; 3 mmHg ( 20 °C)
• 蒸汽密度: 4.6 (vs air)
• 紫外吸收波长: λ: 225 nm Amax: 1.00; λ: 240 nm Amax: 0.50; λ: 260 nm Amax: 0.20; λ: 280 nm Amax: 0.08; λ: 320-400 nm Amax: 0.01

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Hygroscopic
• RTECS编号: KN3339000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1993; 3271; UN3271
• 德国WGK号: 1
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3; III
• 澳大利亚Hazchem: 3Y
• 危险公开号: 60-61-10-19; R:10-68-36/37/38; R60 R61 R10 R19
• 安全公开号: 53-45; S:16-25-26-36/37/39-53; S53 S45
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3B
• 美国ERG指导号: 128
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS08
• GHS警示词: Danger
• 爆炸极限: 17.4 %
• GHS危险声明: H226-H360FD; H360-H226
• GHS警示性声明: P201-P308 + P313; P210-P241-P280-P303+P361+P353-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
• RID/ADR: UN 3271 3/PG 3
• 欧盟补充危害声明: May form explosive peroxides.

产品相关信息

• 纯度: ≥99%; ≥99.0% (GC); ≥99.5% (GC); ≥99.7% (GC); 99%; 99%, stab. with 100ppm BHT; 99.5%
• 级别: absolute; analytical standard; anhydrous; puriss.; puriss. p.a.; purum; ReagentPlus®; spectrophotometric grade
• 蒸发残渣: <0.0005%; <0.001%
• 杂质: <0.005% water; <0.050% water; ≤0.005% peroxides (as H2O2); ≤0.1% water
• 痕量阳离子: 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; 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: over molecular sieve (H2O ≤0.005%)
• λ: H2O reference
• 线性分子式: (CH3OCH2CH2)2O

详细说明

MP Biomedicals - 02150892

1 ml = approx. 0.94 g

DrugBank - DB02935

Drug information: experimental

Sigma Aldrich - 256390

包装
1, 2 L in glass bottle

Sigma Aldrich - 281662

包装
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - M14102

包装
1, 4 L in glass bottle
20 L in steel drum
500 mL in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - D446300

Solvent; it is used as reaction medium for Grignard and similar synthesis.

参考文献

• Aprotic solvent which has useful solvent power, e.g. for Sodium borohydride, 35788, and hence has been widely used for in situ generation of diborane and for many other hydride reactions. For use in the hydroboration of olefins with borane-triethylamine complex, see: Org. Synth. Coll., 7, 427 (1990).