143-02-2 (十六烷基硫酸酯,1-Hexadecanol,1-(hydrogen sulfate))

快速询单

结构式：

十六烷基硫酸酯MOL文件

CAS号：

143-02-2

中文名称：

十六烷基硫酸酯

英文名称：

1-Hexadecanol,1-(hydrogen sulfate)

分子式：

C₁₆H₃₄O₄S

分子量：

322.503764629364

十六烷基硫酸酯(143-02-2)名称与标识符

名称

中文别名：

十六烷基硫酸酯;

英文别名：

1-Hexadecanol,1-(hydrogen sulfate);hexadecyl hydrogen sulfate;hexadecyl hydrogen sulphate;1-Hexadecanol, hydrogen sulfate;Cetyl sulfate;Einecs 205-579-5;Sulfuric acid hexadecyl ester;Sulfuric acid hydrogen hexadecyl ester;1120-01-0 (Hydrochloride salt);1-Hexadecanol, 1-(hydrogen sulfate);Hexyldecyl hydrogen sulfate;C16-AS;CHEMBL1229222;Q27261571;C16-Alkyl sulfate;N-HEXADECYL SULFATE;SULFURIC ACID MONOHEXADECYL ESTER;588KRC8J32;143-02-2;UNII-588KRC8J32;cetyl sulphate;NS00013544;DTXSID7047982;SCHEMBL42397;hexadecyl sulfate;palmityl sulfate;hexadecylsulfat;

标识符

InChIKey：

LPTIRUACFKQDHZ-UHFFFAOYSA-N

Inchi：

1S/C16H34O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H,17,18,19)

SMILES：

S(=O)(=O)(O)OCCCCCCCCCCCCCCCC

十六烷基硫酸酯(143-02-2)物化性质

实验特性

PSA : 63.6
折射率 : 1.5220 (estimate)
沸点 : 431.1°C (rough estimate)
闪点 : °C
密度 : 1.0850 (rough estimate)

计算特性

精确分子量 : 322.21792
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 16
同位素质量 : 322.218
重原子数量 : 21
复杂度 : 296
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 6.9
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 72A^2

十六烷基硫酸酯(143-02-2)相关文献

1. Molecular interactions at oil/water interfaces. Part I. Molecular complex formation and the stability of oil in water emulsions
J. H. Schulman,E. G. Cockbain Trans. Faraday Soc. 1940 35 651
2. Penetration of sodium cetyl sulphate into cetyl alcohol. Effect of salt on the time-penetration curves
R. Matalon,J. H. Schulman Trans. Faraday Soc. 1947 43 479
3. Metal ion—monolayer interactions. Monolayers of sodium cetyl sulphate and their interaction with polyvalent metal ions
J. G. N. Thomas,J. H. Schulman Trans. Faraday Soc. 1954 50 1131
4. Quantitative determination of sodium cetyl sulphate in its solution in water
G. R. Edwards,W. E. Ewers,W. W. Mansfield Analyst 1952 77 205
5. Collisionally-induced dissociation mass spectra of organic sulfate anions
Athula B. Attygalle,Silvina García-Rubio,Jennifer Ta,Jerrold Meinwald J. Chem. Soc. Perkin Trans. 2 2001 498
6. Structure in relation to living biological functions
J. H. Schulman Trans. Faraday Soc. 1937 33 1116
7. Molecular interaction in monolayers. Association between amines and organic acids
E. G. Cockbain,J. H. Schulman Trans. Faraday Soc. 1939 35 716
8. The binding of sodium hexadecyl sulphate to poly(N-vinylpyrrolidone) in aqueous solutions. Kinetic and equilibrium studies
David M. Painter,Derek M. Bloor,Noboru Takisawa,Denver G. Hall,Evan Wyn-Jones J. Chem. Soc. Faraday Trans. 1 1988 84 2087
9. Kinetic and equilibrium studies at the solid–liquid interface. The adsorption of sodium hexadecyl sulphate to polystyrene latex
David Painter,Denver G. Hall,Evan Wyn-Jones J. Chem. Soc. Faraday Trans. 1 1988 84 773
10. A study of films at the liquid/liquid interface
A. E. Alexander,Torsten Teorell,Eric K. Rideal Trans. Faraday Soc. 1939 35 727