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Substance Name: Trimethylhexadecylammonium chloride
RN: 112-02-7
UNII: UC9PE95IBP
InChIKey: WOWHHFRSBJGXCM-UHFFFAOYSA-M

Classification Code

  • Mutation Data

Molecular Formula

  • C19-H42-N.Cl

Molecular Weight

  • 320.0008
 
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Names and Synonyms

Name of Substance

  • Cetrimonium chloride
  • Cetyl trimethyl ammonium chloride
  • N,N,N-Trimethyl-1-hexadecanaminium chloride
  • Trimethylhexadecylammonium chloride

Synonyms

  • Adogen 444
  • Aliquat 6
  • Ammonyx Cetac 30
  • Arquad 16
  • Arquad 16-25LO
  • Arquad 16-25W
  • Arquad 16-26
  • Arquad 16-29
  • Arquad 16-29W
  • Arquad 16-50
  • Arquad 16/28
  • Barquat CT 29
  • Carsoquat CT 429
  • Caswell No. 167A
  • Catinal CTC 70ET
  • Cation PB 40
  • CETAC
  • Cetrimonium chloride
  • Cetyl trimethyl ammonium chloride
  • Cetyltrimethylammonium chloride
  • Dehyquart A
  • Dehyquart A-CA
  • Dodigen 1383
  • EC 203-928-6
  • EINECS 203-928-6
  • EPA Pesticide Chemical Code 069133
  • FSM 28
  • Genamin CTAC
  • HDTMA-Cl
  • Hexadecyl trimethyl ammonium chloride
  • Hexadecyltrimethylammonium chloride (6CI)
  • HSDB 5553
  • HTAC
  • Intexan CTC 29
  • Intexsan CTC 29
  • Intexsan CTC 50
  • Lebon TM 16
  • Lebon TM 60
  • Morpan CHA
  • N,N,N-Trimethyl-1-hexadecanaminium chloride
  • N-Hexadecyltrimethylammonium chloride
  • Nissan Cation PB 40
  • Palmityltrimethylammonium chloride
  • PB 40
  • Pionin B 611
  • Quartamin 60W
  • Quatramine C 16/29
  • Surfroyal CTAC
  • Swanol CA 2350
  • Trimethylcetylammonium chloride
  • Trimethylhexadecylammonium chloride
  • UNII-UC9PE95IBP
  • Variquat E 228

Systematic Names

  • 1-Hexadecanaminium, N,N,N-trimethyl-, chloride
  • 1-Hexadecanaminium, N,N,N-trimethyl-, chloride (1:1)
  • Cetrimonium chloride

Superlist Names

  • Ammonium, hexadecyltrimethyl-, chloride
  • N,N,N-Trimethyl-1-hexadecanaminium chloride

Registry Numbers

CAS Registry Number

  • 112-02-7

FDA UNII

  • UC9PE95IBP

Other Registry Numbers

  • 129290-73-9
  • 139272-33-6
  • 146909-27-5
  • 2124222-94-0
  • 217468-43-4
  • 53023-95-3
  • 79728-63-5

Related Registry Number

  • 6899-10-1 (Parent)

System Generated Number

  • 0000112027

Molecular Formulas

Molecular Formula

  • C19-H42-N.Cl

Molecular Formula Fragments

  • C19-H42-N
  • Cl
  • COMPONENT

Structure Descriptors

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

InChIKey

WOWHHFRSBJGXCM-UHFFFAOYSA-M

Smiles

C(CCCCCCCCCCCCC)CC[N+](C)(C)C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 400mg/kg (400mg/kg)   National Technical Information Service. Vol. OTS0543823,
rabbit LD50 skin 4300uL/kg/24H (4.3mL/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
National Technical Information Service. Vol. OTS0538116,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.23 (none)   EXP
Water Solubility 440 mg/L 30 EXP
Vapor Pressure 2.80E-10 mm Hg 25 EST
Henry's Law Constant 2.93E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.42E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.