112-02-7

Name N-Hexadecyltrimethylammonium chloride
CAS 112-02-7
EINECS(EC#) 203-928-6
Molecular Formula C19H42ClN
MDL Number MFCD00011773
Molecular Weight 320
MOL File 112-02-7.mol

Chemical Properties

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 Data

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 Products

Hazard Information

Material Safety Data Sheet(MSDS)

Supplier