20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol

Base Information

• Chemical Name: 20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol
• CAS No.: 2497-59-8
• Molecular Formula: C28H50 O8
• Molecular Weight: 514.7
• European Community (EC) Number: 219-682-8
• UNII: DGW88559XL
• DSSTox Substance ID: DTXSID60179685
• Nikkaji Number: J191.988A
• Wikidata: Q83050213
• ChEMBL ID: CHEMBL2104613
• Mol file: 2497-59-8.mol

Synonyms:2497-59-8;20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol;Tergitol NO 7;Triton(TM) X-114;2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;20-(4-(2,4,4-Trimethylpentan-2-yl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol;Triton(TM) X-100, BioXtra;3,6,9,12,15,18-Hexaoxaeicosan-1-ol, 20-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-;EINECS 219-682-8;Octoxinol 9;Octoxinol-9;Octoxynol 7;Protachem op-9;3,6,9,12,15,18-HEXAOXAEICOSAN-1-OL, 20-(4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)-;Jeechem op-9;Octoxinol 10;Octoxinol-10;Nonal 109;Triton(TM) X-45;Triton X-100.7;IGEPAL(R) CA-630;Triton(TM) X-100, CP;DGW88559XL;CHEMBL2104613;DTXSID60179685;Tergitol(R) NP-10 (nonionic);AKOS030228647;Triton(TM) X-100, laboratory grade;Triton(TM) X-114, laboratory grade;Triton(TM) X-114, reduced, reduced;Triton(TM) X-405, reduced, reduced;Triton(TM) X-100, for electrophoresis;Triton(TM) X-100, non-ionic detergent;Triton X-100, non-ionic, viscous liquid;Triton(TM) X-100, for molecular biology;IGEPAL(R) CA-210, average Mn ~294;IGEPAL(R) CA-520, average Mn ~427;IGEPAL(R) CA-720, average Mn ~735;CS-0450114;Triton(TM) X-100, Vetec(TM) reagent grade;M02429;Triton(TM) X-100, peroxide- and carbonyl-free;Triton(TM) X-114, reduced, reduced, >=99%;HEPTAETHYLENE GLYCOL P-TERT-OCTYLPHENYL ETHER;Triton(TM) X-100, BioXtra, for molecular biology;3,6,9,12,15,18-HEXAOXAEICOSAN-1-OL, 20-(P-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)-;JDJ

Chemical Property of 20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol

Chemical Property:

• Vapor Pressure: 3.37E-14mmHg at 25°C
• Boiling Point: 578°Cat760mmHg
• PKA: 14.36±0.10(Predicted)
• Flash Point: 303.3°C
• PSA: 84.84000
• Density: 1.036g/cm³
• LogP: 4.01520
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 24
• Exact Mass: 514.35056855
• Heavy Atom Count: 36
• Complexity: 486

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCO

Technology Process of 20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol

There total 3 articles about 20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,1,3,3-tetramethylbutylphenolate sodium (59388-61-3) → Triton X-114 (2497-59-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous dioxane

With 1,4-dioxane;

DOI:10.1139/v57-087

Reference yield:

(2-chloro-ethyl)-[4-(1,1,3,3-tetramethyl-butyl)-phenyl]-ether (111384-75-9) → Triton X-114 (2497-59-8)

Guidance literature:

DOI:10.1139/v57-087

Reference yield:

→ Triton X-114 (2497-59-8)

Guidance literature:

p-t-OPE(1)-Cl, Hexaethylenglycol;

upstream raw materials:

(2-chloro-ethyl)-[4-(1,1,3,3-tetramethyl-butyl)-phenyl]-ether

1,1,3,3-tetramethylbutylphenolate sodium