2-[(2-hydroxyethyl)sulfanyl]ethan-1-ol

• ChemBase编号: 102786
• 分子式: C4H10O2S
• 平均质量: 122.186
• 单一同位素质量: 122.04015056
• SMILES: OCCSCCO
• Canonical SMILES: OCCSCCO
• InChI: InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2
• InChIKey: YODZTKMDCQEPHD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(2-hydroxyethyl)sulfanyl]ethan-1-ol
• IUPAC传统名: thiodiglycol
• 别名: 2,2'-硫代二乙醇; 2,2′-硫代双乙醇; 二(2－羟乙基)硫醚; 硫代二甘醇; 硫代双乙醇; 2,2′-硫基二乙醇; 2,2'-Thiodiethanol; 2,2'-Thiobis(ethanol); Bis(2-hydroxyethyl) sulfide; Thiodiethylene glycol; THIODIGLYCOL; 2,2'-Thiodiethanol; β,β'-dihydroxydiethyl sulfidl; β-thiodiglycol; β-hydroxyethyl sulfidl; 2-hydroxyethyl sulfidl; bis(β-hydroxyethyl)sulfidl; Glyecine l; Kromfax Solvenl; Tedegyl; 2,2′-Thiobis(ethanol); Thiodiglycol; 2,2′-Thiodiethanol; 2-[(2-hydroxyethyl)thio]ethanol

登记号

• CAS号: 111-48-8
• EC号: 203-874-3
• MDL号: MFCD00002910
• Beilstein号: 1236325
• 默克索引号: 149330
• PubChem SID: 24850185; 24889113; 162088275
• PubChem CID: 5447
• CHEMBL: 444480
• Chemspider ID: 13881956
• 美国药典/FDA物质标识码: 9BW5T43J04
• 维基百科标题: Thiodiglycol

理论计算性质

• Acid pKa: 15.243555
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -0.67599535
• LogD (pH = 7.4): -0.67599535
• Log P: -0.67599535
• 摩尔折射率: 31.8827 cm^3
• 极化性: 12.42618 Å^3
• 极化表面积: 40.46 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Clear to pale-yellow liquid
• 熔点: -16 °C(lit.); -16°C; -16°C; -17 - -16°C; -18 °C
• 沸点: 164-166 °C/20 mmHg(lit.); 164-166°C/20mm; 165 °C at 14 mmHg (1.9 kPa) or decomposition at 282 °C at normal pressure; 284 °C
• 闪点: 113 °C; 160 °C (DIN 51758); 160°C(320°F); 235.4 °F
• 密度: 1.221; 1.221 g/mL at 25 °C(lit.); ca. 1.18 g/cm^3 at 20 °C
• 折射率: 1.5210; n20/D 1.521; n20/D 1.5215(lit.); n20/D 1.522
• 蒸汽压: < 1 hPa at 20 °C
• 疏水性(logP): -0.81

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: KM2975000; XR1700000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36; R:36
• 安全公开号: 2; R
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H319
• GHS警示性声明: P280-P264-P305+P351+P338-P337+P313; P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥95.0% (GC); ≥98.5% (GC); ≥99%; ≥99.0%; ≥99.0% (GC); 95%; 99%
• 级别: puriss.; purum
• 适用性: suitable for amino acid analysis
• 线性分子式: S(CH2CH2OH)2

详细说明

MP Biomedicals - 02103039

1 ml = approx. 1.18 g
Useful antioxidant in amino acid determinations by the method of Stein and Moore, J. Biol. Chem. , 192 : 668, (1951).
NOT FOR EXPORT

Sigma Aldrich - 88559

Application
Suitable as an antioxidant in amino acid determination according to Moore and Stein1, suitable as water soluble mounting medium for high resolution optical microscopy according to Staudt, T. et al.2

Sigma Aldrich - 166782

包装
100, 500 g in glass bottle