ChemicalBook--->CAS DataBase List--->112-02-7

112-02-7

112-02-7 Structure

112-02-7 Structure
IdentificationMore
[Name]

N-Hexadecyltrimethylammonium chloride
[CAS]

112-02-7
[Synonyms]

c16-alkyltrimethylammonium chloride
CETRIMONIUM CHLORIDE
CETYLTRIMETHYLAMMONIUM CHLORIDE
cetyl trimethyl ammonium chlride
CTAC
HEXADECYLTRIMETHYLAMMONIUM CHLORIDE
N-HEXADECYLTRIMETHYLAMMONIUM CHLORIDE
TRIMETHYL-1-HEXADECANEAMMONIUM CHLORIDE
TRIMETHYLHEXADECYLAMMONIUM CHLORIDE
1-Hexadecanaminium,N,N,N-trimethyl-,chloride
adogen444
aliquat6
arquad16
arquad16/28
arquad16-25w
arquad16-29
arquad16-50
barquatct29
cationpb40
cetac
[EINECS(EC#)]

203-928-6
[Molecular Formula]

C19H42ClN
[MDL Number]

MFCD00011773
[Molecular Weight]

320
[MOL File]

112-02-7.mol
Chemical PropertiesBack Directory
[Appearance]

Liquid
[Melting point ]

232-234 °C
[Boiling point ]

475.54°C (rough estimate)
[density ]

0.968 g/mL at 25 °C
[vapor pressure ]

0.006Pa at 25℃
[refractive index ]

n20/D 1.3778
[storage temp. ]

Store below +30°C.
[solubility ]

Water (Slightly)
[form ]

Amorphous Powder
[color ]

White
[Specific Gravity]

0.968
[Odor]

at 100.00?%. bland
[PH]

pH(50g/l, 25℃) : 6.0~8.5
[Water Solubility ]

Soluble
[Usage]

Barquat(R) CT-29 is a quaternary ammonium based surfactant that finds uses in broad number of industrial cleaning products. Product Data Sheet
[Detection Methods]

T,NMR
[BRN ]

3657974
[Henry's Law Constant]

3.4×104 mol/(m3Pa) at 25℃, HSDB (2015)
[Cosmetics Ingredients Functions]

PRESERVATIVE
SURFACTANT - EMULSIFYING
ANTIMICROBIAL
ANTISTATIC
[Cosmetic Ingredient Review (CIR)]

N-Hexadecyltrimethylammonium chloride (112-02-7)
[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]

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

3.08 at 25℃
[Uses]

cetrimonium chloride can be incorporated into a cosmetic preparation for any number of formulatory needs including as an anti-static, an emulsifier, and a surfactant. It can also be used as a preservative and anti-microbial against the proliferation of bacteria, fungi, and yeast.
[CAS DataBase Reference]

112-02-7(CAS DataBase Reference)
[EPA Substance Registry System]

112-02-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)Environment (GHS09)
GHS05,GHS06,GHS09
[Signal word ]

Danger
[Hazard statements ]

H302-H311-H314-H410
[Precautionary statements ]

P260-P273-P280-P301+P312+P330-P303+P361+P353-P305+P351+P338
[Hazard Codes ]

Xi,N,Xn
[Risk Statements ]

R38:Irritating to the skin.
R41:Risk of serious damage to eyes.
R50:Very Toxic to aquatic organisms.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R37/38:Irritating to respiratory system and skin .
R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 3082 9/PG 3
[WGK Germany ]

3
[RTECS ]

ML9145000
[F ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29239000
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Corr. 1C
[Hazardous Substances Data]

112-02-7(Hazardous Substances Data)
[Toxicity]

LD50 skin in rabbit: 4300uL/kg/24H
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Dimethylamine
[Preparation Products]

Greasing agent,cationic-->Hexadecyl trimethyl ammonium iodide
Hazard InformationBack Directory
[General Description]

Colorless to pale yellow liquid with an odor of rubbing alcohol. Floats or sinks in water.
[Reactivity Profile]

Acidic salts, such as HEXADECYLTRIMETHYLAMMONIUM CHLORIDE, are generally soluble in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. Many of these compounds catalyze organic reactions.
[Hazard]

A poison by ingestion and skin contact.
[Health Hazard]

Ingestion may produce toxic effects. Contact with eyes or skin may cause severe damage.
[Chemical Properties]

Liquid
[Definition]

ChEBI: The organic chloride salt of cetyltrimethylammonium.
[Flammability and Explosibility]

Nonflammable
[Purification Methods]

Crystallise the chloride from acetone/ether mixture, EtOH/ether, or from MeOH. [Moss et al. J Am Chem Soc 109 4363 1987, Beilstein 4 IV 819.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

N-Hexadecyltrimethylammonium chloride(112-02-7).msds
Spectrum DetailBack Directory
[Spectrum Detail]

N-Hexadecyltrimethylammonium chloride(112-02-7)MS
N-Hexadecyltrimethylammonium chloride(112-02-7)1HNMR
N-Hexadecyltrimethylammonium chloride(112-02-7)13CNMR
N-Hexadecyltrimethylammonium chloride(112-02-7)IR1
N-Hexadecyltrimethylammonium chloride(112-02-7)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Hexadecyltrimethylammonium chloride, 99%(112-02-7)
[Alfa Aesar]

(1-Hexadecyl)trimethylammonium chloride, 96%(112-02-7)
[Sigma Aldrich]

112-02-7(sigmaaldrich)
[TCI AMERICA]

Hexadecyltrimethylammonium Chloride,>95.0%(T)(112-02-7)
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