ChemicalBook--->CAS DataBase List--->1320-44-1

1320-44-1

1320-44-1 Structure

1320-44-1 Structure
IdentificationBack Directory
[Name]

OCTYLCRESOXYETHOXYETHYL DIMETHYL-BENZYL AMMONIUM CHLORIDE
[CAS]

1320-44-1
[Synonyms]

Methylbenzethonium Chlioride
DIISOBUTYLCRESOXYETHYLDIMETHYLBENZYLAMMONIUMCHLORIDE
Octylcreoxyethoxyethyl dimethyl-benzyl ammonium chloide
benzyl-dimethyl-[2-[2-[3-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium chloride
benzyl-dimethyl-[2-[2-[3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride
dimethyl-[2-[2-[3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]-(phenylmethyl)azanium chloride
[Molecular Formula]

C28H44NO2.Cl
[MDL Number]

MFCD09951798
[MOL File]

1320-44-1.mol
Chemical PropertiesBack Directory
[Melting point ]

161-163°
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C28H44NO2.ClH/c1-23-20-25(14-15-26(23)28(5,6)22-27(2,3)4)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24;/h9-15,20H,16-19,21-22H2,1-8H3;1H/q+1;/p-1
[InChIKey]

WYWSKWZUWZLELX-UHFFFAOYSA-M
[SMILES]

[Cl-].[N+](CCOCCOc2cc(c(cc2)C(CC(C)(C)C)(C)C)C)(Cc1ccccc1)(C)C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Oral
Skin Corr. 1C
[Toxicity]

LD50 in rats (mg/kg): 100 s.c. (Hart, Huyck)
Hazard InformationBack Directory
[Uses]

In cosmetics as preservative; cationic surfactant.
[Brand name]

Delavan (Bayer); Diaparene (Sterling Winthrop).
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