Methylbenzethonium chloride

Base Information

• Chemical Name: Methylbenzethonium chloride
• CAS No.: 1320-44-1
• Molecular Formula: C28H44 N O2 . Cl . H2 O
• Molecular Weight: 0
• European Community (EC) Number: 246-675-7
• NSC Number: 758427
• UNII: NN7590IUQX
• Wikidata: Q27284969
• NCI Thesaurus Code: C166792
• ChEMBL ID: CHEMBL1321398
• Mol file: 1320-44-1.mol

Synonyms:((((1,1,3,3-tetramethylbutyl)cresoxy)ethoxy)ethyl)dimethylbenzylammonium chloride;Bactine;benzyldimethyl(2-(2-(4-(1,1,3,3- tetramethylbutyl)-tolyloxy)ethoxy)ethyl) ammonium chloride;Diaparene;Hyamine;methylbenzethonium;methylbenzethonium chloride;methylbenzethonium chloride, monohydrate;methylbenzethonium hydroxide

Chemical Property of Methylbenzethonium chloride

Chemical Property:

• Melting Point: 161-163°
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 27.69000
• Density: g/cm³
• LogP: 3.90430
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 461.3060573
• Heavy Atom Count: 32
• Complexity: 502

Purity/Quality:

99% ^*data from raw suppliers

Octylcreoxyethoxyethyldimethyl-benzylammoniumchloide 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
• Uses: In cosmetics as preservative; cationic surfactant.

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