Octaphen

Base Information

• Chemical Name: Octaphen
• CAS No.: 78-05-7
• Molecular Formula: C27H42 N O . Cl
• Molecular Weight: 432.08148
• European Community (EC) Number: 201-078-0
• NSC Number: 141119
• UNII: 5SEY06I0DA
• DSSTox Substance ID: DTXSID50878675
• Wikidata: Q27262809
• NCI Thesaurus Code: C90986
• Mol file: 78-05-7.mol

Synonyms:Octaphen;Phenoctide;78-05-7;Octafonium chloride [INN];Phenoctidiumchlorid;Octafonii chloridum;Octafonium (chloride);UNII-5SEY06I0DA;5SEY06I0DA;Octafonium chloride [INN:BAN];EINECS 201-078-0;Benzyldiethyl-2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethylammonium chloride;NSC-141119;benzyl-diethyl-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]azanium;chloride;Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium chloride;Benzyldiethyl-2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethylammonium chloride;PHENOCTIDE [MI];C27H42NO.Cl;SCHEMBL1649882;C27-H42-N-O.Cl;DTXSID50878675;OCTAFONIUM CHLORIDE [MART.];NSC141119;OCTAFONIUM CHLORIDE [WHO-DD];AKOS025311504;NSC 141119;Q27262809;BENSYLDIMETHYL-OCTADECYLAMMONIUM HYDOXIDE CHLORIDE;.beta.-p-tert-Octylphenoxyethyldiethylbenzylammonium chloride;Ammonium,1,3,3-tetramethylbutyl)phenoxy]ethyl]-, chloride;benzyldiethyl-2-[(p-1,1,3,3-tetramethylbutyl)phenoxy]ethylammonium chloride;Benzyldiethyl-2-[p-(1,3,3-tetramethylbutyl)phenoxy]ethylammonium chloride;Benzenemethanaminium,N-diethyl-N-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethyl]-, chloride;N,N-Diethyl-N-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethyl]benzenemethanaminium chloride;Benzenemethanaminium, N,N-diethyl-N-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)-, chloride

Chemical Property of Octaphen

Chemical Property:

• Melting Point: 112-114° (Goldberg, Besly); mp 95° (Erekaev)
• PSA: 9.23000
• LogP: 3.84000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 431.2954927
• Heavy Atom Count: 30
• Complexity: 446

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+](CC)(CCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)CC2=CC=CC=C2.[Cl-]
• Uses: Orthophosphate as lubricant: Semmens, Summers-Smith, GB 790056 (1958 to I.C.I.).