2-(methylsulfanyl)ethan-1-ol

• ChemBase编号: 104355
• 分子式: C3H8OS
• 平均质量: 92.16002
• 单一同位素质量: 92.02958588
• SMILES: CSCCO
• Canonical SMILES: CSCCO
• InChI: InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3
• InChIKey: WBBPRCNXBQTYLF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(methylsulfanyl)ethan-1-ol
• IUPAC传统名: 2-(methylthio)ethanol; 2-(methylsulfanyl)ethanol
• 别名: 2-(甲基巯基)乙醇; 2-羟乙基甲基硫醚; 2-(甲硫基)乙醇; 2-(METHYLTHIO)ETHANOL; β-HYDROXYETHYL METHYL SULFIDE; 2-(Methylmercapto)ethanol; 2-Hydroxyethyl methyl sulfide; 2-(Methylthio)ethanol; 2-Hydroxyethylmethyl sulfide; 2-[Methylmercapto]ethanol; beta-HYDROXYETHYL METHYL SULFIDE; 2-(METHYLTHIO)ETHANOL; 2-(methylsulfanyl)ethan-1-ol

登记号

• CAS号: 5271-38-5
• EC号: 226-090-3
• MDL号: MFCD00002908
• Beilstein号: 1731081
• PubChem SID: 162091449; 24853568; 24901969
• PubChem CID: 78925
• FEMA编号: 4004
• Flavis Number: 12.179

理论计算性质

• Acid pKa: 15.551865
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.27379206
• LogD (pH = 7.4): 0.27379206
• Log P: 0.27379206
• 摩尔折射率: 25.3872 cm^3
• 极化性: 9.938529 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 169-171 °C(lit.); 169-171°C
• 闪点: 158 °F; 70 °C; 70°C(158°F)
• 密度: 1.06 g/ml; 1.06 g/mL at 25 °C(lit.); 1.060
• 折射率: 1.4944; n20/D 1.4930(lit.); n20/D 1.494
• 疏水性(logP): 0.016

安全信息

• 欧盟危险性物质标志: X
• 联合国危险货物编号: UN3334
• 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
• 危险公开号: 20/22
• 安全公开号: 23-36
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS危险声明: H302-H332-H227
• GHS警示性声明: P260-P280F
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

产品相关信息

• 纯度: ≥97.0% (GC); ≥99%; 95%; 99%
• 级别: purum
• 线性分子式: CH3SCH2CH2OH

详细说明

MP Biomedicals - 05210597

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155665

(2-Hydroxyethylmethyl sulfide; 2-[Methylmercapto]ethanol) 1 ml = approx. 1.06 g

Sigma Aldrich - 226424

包装
10, 50 g in glass bottle

Sigma Aldrich - W400408

包装
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
5 kg in comp drum

Sigma Aldrich - 54400

Other Notes
用于制备 N-[2-(甲硫基)乙氧羰基)-氨基酸（MTC-氨基酸），这种氨基酸可作为多肽合成的中间体1

参考文献

• Reagent for carboxyl group protection in peptide synthesis. Cleavage is by alkylation (MeI), followed by mild alkaline hydrolysis: J. Chem. Soc. (C), 807 (1966); Chem. Ber., 109, 3693 (1976). See Appendix 6.