CAS 112-02-7 Hexadecyltrimethylammonium chloride

Synonyms

Cetyltrimethylammonium chloride

IUPAC Name

hexadecyl(trimethyl)azanium;chloride

Molecular Weight

320.00

Molecular Formula

C19H42ClN

Canonical SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1

InChI Key

WOWHHFRSBJGXCM-UHFFFAOYSA-M

Melting Point

232-237 °C

Purity

≥98%

Density

0.968 g/mL at 25 °C

Solubility

Water solubility: 440 mg/l at 30 deg C;

Appearance

White powder

Complexity

181

Covalently-Bonded Unit Count

Decomposition

When heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides/.;

Defined Atom Stereocenter Count

EC Number

203-928-6

Exact Mass

319.3005780

Formal Charge

H-Bond Acceptor

Heavy Atom Count

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]

MDL Number

MFCD00011773

Monoisotopic Mass

319.3005780

Other Experimental

CLEAR TO PALE YELLOW LIQUID; RUBBING ALCOHOL ODOR /CETYLTRIMETHYLAMMONIUM CHLORIDE SOLN/;

Physical State

Powder

Rotatable Bond Count

Topological Polar Surface Area

0 Å²

UNII

UC9PE95IBP

UN Number

3082

Application

Hexadecyltrimethylammonium chloride is a versatile compound recognized for its utility in industrial and personal care applications. It acts as a quaternary ammonium surfactant, effectively employed in a wide range of industrial cleaning products due to its ability to react with and neutralize bases, while releasing less heat than typical inorganic acids. Additionally, this compound's properties make it suitable for use in hair care formulations, where it serves as a conditioning agent, enhancing products such as hair conditioners and cream rinses. Typically appearing as a colorless to pale yellow liquid, it is soluble in water and exhibits characteristics that may catalyze organic reactions, making it a valuable component in both cleaning and personal care industries.

February 7, 2025

Efficient Surfactant for Research Applications

Hexadecyltrimethylammonium chloride from Alfa Chemistry proved invaluable in my research, efficiently catalyzing organic reactions. Its acidic properties facilitated experiments flawlessly, enhancing my lab work's smooth operation and reliability. Highly recommended for its effective performance.