ethoxyethane

• ChemBase编号: 106214
• 分子式: C4H10O
• 平均质量: 74.1216
• 单一同位素质量: 74.07316494
• SMILES: CCOCC
• Canonical SMILES: CCOCC
• InChI: InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
• InChIKey: RTZKZFJDLAIYFH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethoxyethane
• IUPAC传统名: diethyl ether
• 别名: 乙醚, ACS; 乙醚, 无水, ACS; 乙醚, 光谱级; 乙醚, HPLC级; 乙基醚; 乙醚; 二乙醚; Ethyl ether; Ethyl oxide; 3-Oxapentane; Diethyl ether; Diethyl ether, ACS; Diethyl ether, anhydrous, ACS; Diethyl ether, Spectrophotometric Grade; Diethyl ether, HPLC Grade; Diethyl ether; Aether; Anaesthetic ether; Diaethylaether; Diethyl ether; Diethyl oxide; Dwuetylowy eter; Etere etilico; Ether; Ether ethylique; Ethoxyethane; Oxyde d'ethyle; ETHYL ETHER ANHYDROUS, ACS GRADE; ETHYL ETHER WITH ETHANOL, ACS GRADE; ETHER, ANHYDROUS; ETHYL ETHER ANHYDROUS, ANHYDROSOLV GRADE; ETHYL ETHER ANHYDROUS, HPLC/SPECTRO GRADE; ETHYL ETHER WITH ETHANOL, HPLC/SPECTRO GRADE

登记号

• CAS号: 60-29-7
• EC号: 200-467-2
• MDL号: MFCD00011646
• Beilstein号: 1696894
• 默克索引号: 143806
• PubChem SID: 24861674; 24859037; 24885338; 24885180; 24857834; 24859288; 162092982; 24885337; 24870803; 24854399; 24859042; 24859057; 24889462; 24859046; 24858759; 24861375; 24859048; 24859044; 24858760; 24868063
• PubChem CID: 3283
• CHEBI ID: 35702
• ATC码: N01AA01
• CHEMBL: 16264
• Chemspider ID: 3168
• KEGG ID: D01772
• 美国药典/FDA物质标识码: 0F5N573A2Y
• 维基百科标题: Diethyl_ether

理论计算性质

• 极化性: 8.788117 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.83816534
• LogD (pH = 7.4): 0.83816534
• Log P: 0.83816534
• 摩尔折射率: 22.5097 cm^3

分子性质

理化性质

• 溶解度: 69 g/L (20 °C) in water; Soluble in H2SO4. Sparingly soluble in water. Miscible in most organic solvents
• 外观: APHA: ≤10; Colorless liquid; Liquid
• 熔点: -116 °C(lit.); -116°C; -116.3 °C, 156.9 K, -177.3 °F; -116°C
• 沸点: 34.6 °C; 34.6 °C(lit.); 34.6 °C, 307.8 K, 94.3 °F; 34.6°C; 34.6°C
• 闪点: -40 °C; -40 °F; -40°C; -45 °C; -45°C(-49°F)
• 自燃点: 160 °C; 320 °F; 356 °F
• 密度: 0.706 g/ml; 0.706 g/mL at 25 °C(lit.); 0.713; 0.7134 g/cm^3, liquid
• 折射率: 1.3525; 1.353 (20 °C); n20/D 1.353; n20/D 1.3530(lit.)
• 蒸汽压: 28.5 psi ( 55 °C); 28.66 psi ( 55 °C); 28.69 psi ( 55 °C); 442.552 mm Hg @ 20 deg C; 8.38 psi ( 20 °C); 8.56 psi ( 20 °C); 8.59 psi ( 20 °C)
• 蒸汽密度: 2.6 (vs air); 2.6 g/L
• 紫外吸收波长: λ: 210 nm Amax: 0.8; λ: 218 nm Amax: 1.0; λ: 230 nm Amax: 0.45; λ: 250 nm Amax: 0.12; λ: 250 nm Amax: 0.20; λ: 275 nm Amax: 0.04; λ: 280 nm Amax: 0.07; λ: 300-400 nm Amax: 0.01; λ: 310 nm Amax: 0.005
• 粘度: 0.224 cP (25 °C)

安全信息

• 保存条件: Room Temperature (15-30°C); Room Temperature (15-30°C), Store Under Nitrogen
• RTECS编号: KI5775000
• 欧盟危险性物质标志: 高度易燃性(Highly flammable) (F+); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1155; UN1155
• 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): 1; I
• 澳大利亚Hazchem: 3YE
• 危险公开号: 12-19-22-66-67; R:12-19-22-66-67; R12 R19 R20/22 R66 R67
• 安全公开号: 16; 9-16-29-33; S:9-16-29-33; S9 S16 S29 S33
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3A
• 美国ERG指导号: 127
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Danger
• 主要危害: Extremely Flammable, harmful to skin
• NFPA704:
  

  4

  2

  1
• 爆炸极限: 1.9-48.0%; 36.5 %
• GHS危险声明: H224-H302-H336
• GHS警示性声明: P210-P241-P261-P303+P361+P353-P405-P501A; P210-P261
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1155 3/PG 1
• 欧盟补充危害声明: May form explosive peroxides., Repeated exposure may cause skin dryness or cracking.

产品相关信息

• 纯度: ≥98%; ≥98.0%; ≥99%; ≥99.0%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); ≥99.7%; ≥99.8%; ≥99.8% (diethyl ether + ethanol, GC); ≥99.8% (GC); ≥99.9%; ≥99.9% (GC); 98% min, stab. with 0.001% BHT and 3% ethanol; 99% min, stab. with BHT; 99%, stab. with ethanol; 99+%, inhibitor free
• 级别: ACS; ACS reagent; analytical standard; anhydrous; CHROMASOLV®; for HPLC; for residue analysis; for UV-spectroscopy; HPLC; JIS special grade; Laboratory Reagent; Ph Eur; puriss.; puriss. p.a.; purum; reagent grade; SAJ first grade; spectrophotometric grade
• 适用性: passes test for reaction against H2SO4; suitable for 1000 per JIS; suitable for 300 per JIS; suitable for 5000 per JIS; suitable for residual phthalate analysis
• 蒸发残渣: <0.0003%; ≤0.0005%; ≤0.001%
• 杂质: <0.002% ketone (as CH3COCH3); <0.003% water; <0.005% water(100 mL pkg); <100 ppm water; ≤0.00003% peroxides (as H2O2); ≤0.00005% peroxides (as H2O2); ≤0.00006% S-compounds (as S); ≤0.00007% adehydes (as HCHO); ≤0.00007% aldehydes (as HCHO); ≤0.0001% aldehydes (as HCHO); ≤0.0001% peroxides (as H2O2); ≤0.0002 meq/g Titr. acid; ≤0.0002% free acid (as CH3COOH); ≤0.0002% peroxides (as H2O2); ≤0.0005% free acid (as CH3COOH); ≤0.001% acetaldehyde (CH3CHO); ≤0.001% carbonyl; ≤0.001% Carbonyl ( as HCHO ); ≤0.001% Carbonyl (as HCHO); ≤0.001% carbonyl compounds (as CO); ≤0.001% formaldehyde (HCHO); ≤0.001% non-volatile matter; ≤0.002% free acid (as CH3COOH); ≤0.002% non-volatile matter; ≤0.003% aciditiy (as CH3COOH); ≤0.005% acetone (GC); ≤0.0075% water; ≤0.0075% water (Karl Fischer); ≤0.02% ethanol (GC); ≤0.02% methanol (GC); ≤0.03% water; ≤0.03% Water; ≤0.05% water; ≤0.1% water; ≤0.2% water; ≤0.2% water (Karl Fischer); ≤1 ppm Peroxide ( as H2O2 ); ≤1 ppm Peroxide ( as H2O2); ≤1 ppm Peroxide (as H2O2); ≤1 ppm peroxide (as H2O3); ≤1 ppm peroxides (as H2O2); 0.0002 meq/g Titr. Acid; 0.03% water (Karl Fischer); 2% ethyl alcohol; 5-8 ppm BHT (GC); acidic reac. Impurities, in accordance; Alcohol ( as CH3CH2OH ), passes test; Alcohol (as CH3CH2OH), passes test; aldehydes, in accordance; residual solvents, in accordance
• 痕量阳离子: Al: ≤0.5 mg/kg; B: ≤0.02 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: ≤0.05 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: ≤0.05 mg/kg; Pb: ≤0.1 mg/kg; Sn: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.05 mg/kg; Zn: ≤0.1 mg/kg
• 其他组分: ~0.0005% 2,6-di-tert.-butyl-4-methylphenol as stabilizer; ~0.0005% 2,6-di-tert-butyl-4-methylphenol as stabilizer; ~0.0006% BHT as stabilizer; ~2% ethanol and ~10 ppm BHT as inhibitor; ~2% ethanol and ~10ppm BHT as inhibitor; ~2% ethanol as stabilizer; ~5 mg/L 2,6-di-tert.-butyl-4-methylphenol as stabilizer; 0.0005-0.0007% 2,6-di-tert-butyl-4-methylphenol as stabilizer; 1 ppm BHT as inhibitor; 1 ppm BHT as stabilizer; 2,6-di-tert-butyl-4-methylphenol as stabilizer; BHT as inhibitor; BHT as stabilizer
• 有效期: (limited shelf life, expiry date on the label)
• 提纯方法: glass distillation
• 品质说明: dried; dried over molecular sieve (H2O ≤0.005%); dried over molecular sieve Deperox Dehydrat (H2O ≤0.005%); dried over Na/Pb alloy (H2O ≤0.01%); meets analytical specification of Ph. Eur., BP
• λ: 1 cm path, H2O reference; H2O reference
• 药典: testing & handling conforms to Pharmacopeia
• 线性分子式: (CH3CH2)2O

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在 GC/ECD 从林丹到 DDT 的保留时间范围内，不会有信号强度高于 5ng/l 林丹的杂质存在
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