2-methoxyethan-1-ol

• ChemBase编号: 2519
• 分子式: C3H8O2
• 平均质量: 76.09442
• 单一同位素质量: 76.0524295
• SMILES: COCCO
• Canonical SMILES: COCCO
• InChI: InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
• InChIKey: XNWFRZJHXBZDAG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxyethan-1-ol
• IUPAC传统名: 2-methoxyethanol
• 别名: 2-甲氧基乙醇, 光谱级; 2-甲氧基乙醇, ACS; 乙二醇单甲醚; 甲基乙二醇; 甲基溶纤剂®; 2-甲氧基乙醇; 2-Methoxyethanol, Spectrophotometric Grade; 2-Methoxyethanol, ACS; Methyl-cellosolve; 2-Methoxyethanol; Methyl glycol; ETHYLENE GLYCOL MONOMETHYL ETHER; Ethylene glycol monomethyl ether; EGME; Methyl Cellosolve; 2-Methoxyethanol; 2-Methoxyethanol; 2-Methoxyethanol, Methyl-cellosolve; ETHYLENE GLYCOL MONOMETHYL ETHER, ACS GRADE

登记号

• CAS号: 109-86-4
• EC号: 203-713-7
• MDL号: MFCD00002867
• Beilstein号: 1731074
• 默克索引号: 146038
• PubChem SID: 24862167; 24860240; 24857158; 24889150; 24856377; 24883515; 46505885; 160965969; 24851142
• PubChem CID: 8019
• CHEBI ID: 46790
• CHEMBL: 444144
• Chemspider ID: 7728
• DrugBank ID: DB02806
• KEGG ID: D05554
• 美国药典/FDA物质标识码: EK1L6XWI56
• 维基百科标题: 2-Methoxyethanol

理论计算性质

JChem

• Acid pKa: 15.122039
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.5655526
• LogD (pH = 7.4): -0.5655526
• Log P: -0.5655526
• 摩尔折射率: 19.3048 cm^3
• 极化性: 7.6015577 Å^3
• 极化表面积: 29.46 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: -0.78
• LOG S: 1.03
• 溶解度: 8.12e+02 g/l

分子性质

理化性质

• 溶解度: 1000 mg/mL at 25 oC [DOW CHEMICAL COMPANY (1981)]; Miscible with water, alcohol, glycerol, ether, acetone, DMF
• 外观: APHA: ≤10; Liquid
• 熔点: -85 °C; -85 °C(lit.); -85 °C; -85°C
• 沸点: 124-125 °C; 124-125 °C(lit.); 124–125 °C; 124-125°C; -85 °C
• 闪点: 104 °F; 37 °C (DIN 51 755); 40 °C; 46°C(115°F)
• 自燃点: 310 °C; 548 °F
• 密度: .964 - .966 g/cm^3 at 20 °C; 0.965; 0.965 g/cm^3; 0.965 g/mL at 25 °C(lit.); 0.966-0.968 g/mL at 20 °C
• 折射率: 1.4025; n20/D 1.4010-1.4030; n20/D 1.402; n20/D 1.402(lit.); n20/D 1.403
• 蒸汽压: 6.17 mmHg ( 20 °C); 8.1 hPa at 20 °C
• 蒸汽密度: 2.62 (air = 1); 2.62 (vs air)
• 紫外吸收波长: λ: 213 nm Amax: 1.00; λ: 240 nm Amax: 0.20; λ: 260 nm Amax: 0.05; λ: 300-400 nm Amax: 0.01
• 疏水性(logP): -0.77 [HANSCH,C ET AL. (1995)]

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: KL5775000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 1188; UN1188
• 德国WGK号: 1; 3
• 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: 2Y
• 危险公开号: 60-61-10-20/21/22; 60-61-10-20/21/22.1; R:10-20/21/22-60-61
• 安全公开号: 53.1-45; 53-45; S:16-45-53
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3B
• 美国ERG指导号: 127
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07; GHS08
• GHS警示词: Danger
• NFPA704:
  

  2

  3

  2
• 爆炸极限: 24.5 %
• GHS危险声明: H226-H302-H312-H332-H360FD; H360-H226-H302-H312-H332; H360-H226-H312-H332-H303
• GHS警示性声明: P201-P280-P308 + P313; P210-P241-P303+P361+P353-P302+P352-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 1188 3/PG 3

产品相关信息

• 纯度: ≥99.0%; ≥99.0% (GC); ≥99.3%; ≥99.5% (GC); ≥99.9%; ≥99.9% (GC); 99%; 99% min; 99.3+%; 99.8%
• 级别: ACS; ACS reagent; analytical standard; anhydrous; CHROMASOLV®; for amino acid analysis; for HPLC; JIS special grade; puriss. p.a.; purum; ReagentPlus®; SAJ first grade; spectrophotometric grade
• 适用性: in accordance for suitability for amino acid analysis (as solvent for ninhydrin dyeing reagent); suitable for amino acid analysis
• 蒸发残渣: <0.0005%; <0.001%; ≤0.003%
• 杂质: <0.005% water; <0.020% water; <0.050% water; ≤0.0003% peroxides (as H2O2); ≤0.001% acetaldehyde; ≤0.001% formaldehyde; ≤0.002 meq/g free acid (as CH3COOH); ≤0.002 meq/g Titr. acid; ≤0.002% non-volatile matter; ≤0.002% peroxides (as H2O2); ≤0.005% free acid (as CH3COOH); ≤0.1% water; ≤0.1% water (Karl Fischer); ≤0.100% water
• 痕量阳离子: Al: ≤0.5 mg/kg; B: ≤0.02 mg/kg; Ba: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Fe: ≤0.4 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sn: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• 其他组分: ~0.0005% 2,6-di-tert-butyl-4-methylphenol as stabilizer; ~0.01% 2,6-di-tert-butyl-4-methylphenol as stabilizer; 50 ppm BHT as stabilizer
• 有效期: (limited shelf life, expiry date on the label)
• 提纯方法: glass distillation
• λ: H2O reference
• 线性分子式: CH3OCH2CH2OH

详细说明

MP Biomedicals - 02102314

Suitable solvent for ninhydrin color reagent.
1 ml = approx. 0.96 g

DrugBank - DB02806

• Drug Groups: experimental
• External Links: Wikipedia

Sigma Aldrich - 64719

法律信息
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 156205

法律信息
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 64730

Other Notes
可能实行销售限制
法律信息
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 33457

法律信息
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 360503

包装
1, 2.5, 4×4 L in glass bottle
20 L in steel drum
500 mL in glass bottle
法律信息
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 09-1710

法律信息
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 185469

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

Sigma Aldrich - 09-1730

法律信息
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 270482

包装
1, 2 L in glass bottle
100 mL in glass bottle
法律信息
CHROMASOLV 注册商标 Sigma-Aldrich Laborchemikalien GmbH
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 09-1720

法律信息
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 284467

包装
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™
法律信息
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 88907

法律信息
Cellosolve 注册商标 Union Carbide