Cas no 74997-72-1 (Benzoic acid,4-hydroxy-, 2-ethylhexyl ester, sodium salt (1:1))
74997-72-1 structure
Product Name:Benzoic acid,4-hydroxy-, 2-ethylhexyl ester, sodium salt (1:1)
CAS No:74997-72-1
MF:C15H21NaO3
MW:272.315215826035
CID:571372
PubChem ID:23662442
Update Time:2025-04-19
Benzoic acid,4-hydroxy-, 2-ethylhexyl ester, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-hydroxy-, 2-ethylhexyl ester, sodium salt (1:1)
- sodium 2-ethylhexyl 4-oxidobenzoate
- sodium,4-(2-ethylhexoxycarbonyl)phenolate
- sodium 4-{[(2-ethylhexyl)oxy]carbonyl}phenolate
- DTXSID20996491
- EINECS 278-048-9
- 74997-72-1
-
- Inchi： 1S/C15H22O3.Na/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13;/h7-10,12,16H,3-6,11H2,1-2H3;/q;+1/p-1
- InChI Key： ISCKUIBTVLMXRZ-UHFFFAOYSA-M
- SMILES： [Na+].O(C(C1C=CC(=CC=1)[O-])=O)CC(CC)CCCC
Computed Properties
- Exact Mass: 272.138839
- Monoisotopic Mass: 272.138839
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 238
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 49.4
Experimental Properties
- Boiling Point: 362.6°C at 760 mmHg
- Flash Point: 144.6°C
Benzoic acid,4-hydroxy-, 2-ethylhexyl ester, sodium salt (1:1) Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
74997-72-1 (Benzoic acid,4-hydroxy-, 2-ethylhexyl ester, sodium salt (1:1)) Related Products
- 2664-60-0(Dodecyl 4-hydroxybenzoate)
- 69679-30-7(decyl 4-hydroxybenzoate)
- 1085-12-7(n-Heptyl 4-Hydroxybenzoate)
- 71067-09-9(4-Hydroxybenzoic acid hexadecylester)
- 1219-38-1(N-Octyl 4-Hydroxybenzoate)
- 5153-25-3(2-Ethylhexyl 4-hydroxybenzoate)
- 6521-29-5(Pentyl Paraben)
- 1083-27-8(Hexyl 4-hydroxybenzoate)
- 148348-12-3(Benzoic acid,4-hydroxy-, 2-hexyldecyl ester)
- 6521-30-8(4-Hydroxybenzoic Acid Isoamyl Ester)
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