Cas no 50910-68-4 (Phenol, 4-dodecyl-,calcium salt (2:1))
50910-68-4 structure
Product Name:Phenol, 4-dodecyl-,calcium salt (2:1)
CAS No:50910-68-4
MF:C36H58CaO2
MW:562.922530651093
CID:383098
PubChem ID:21989571
Update Time:2025-04-19
Phenol, 4-dodecyl-,calcium salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-dodecyl-,calcium salt (2:1)
- calcium 4-dodecylphenolate
- calcium bis(4-dodecylphenolate)
- phenolate, 4-dodecyl-, calcium salt
- SCHEMBL6063883
- 50910-68-4
- EINECS 256-842-6
- NS00089096
- DTXSID30198944
-
- Inchi： 1S/2C18H30O.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17;/h2*13-16,19H,2-12H2,1H3;/q;;+2/p-2
- InChI Key： JPOLXALETSGQNT-UHFFFAOYSA-L
- SMILES： [Ca+2].[O-]C1C=CC(=CC=1)CCCCCCCCCCCC.[O-]C1C=CC(=CC=1)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 562.40654
- Monoisotopic Mass: 301.184432
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 39
- Rotatable Bond Count: 22
- Complexity: 182
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 23.1
Experimental Properties
- Boiling Point: 376.6°Cat760mmHg
- Flash Point: 216.5°C
- PSA: 46.12
Phenol, 4-dodecyl-,calcium salt (2:1) Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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2. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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