122-18-9

Name Benzyldimethylhexadecylammonium chloride
CAS 122-18-9
EINECS(EC#) 204-526-3
Molecular Formula C25H46ClN
MDL Number MFCD00011625
Molecular Weight 396.09
MOL File 122-18-9.mol
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Chemical Properties

Appearance white to creamy-white crystalline powder
Melting point  55-65 °C(lit.)
Boiling point  550.14°C (rough estimate)
density  0.9089 (rough estimate)
vapor pressure  0Pa at 25℃
refractive index  1.6000 (estimate)
storage temp.  2-8°C
solubility  DMSO: 100 mg/mL (252.47 mM)
form  Powder
color  White to creamy-white
Water Solubility  MODERATELY SOLUBLE
Detection Methods T,NMR
Merck  14,2017
BRN  3802341
Cosmetics Ingredients Functions ANTIMICROBIAL
ANTISTATIC
PRESERVATIVE
InChI 1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1
InChIKey SXPWTBGAZSPLHA-UHFFFAOYSA-M
SMILES [Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
LogP 3.022 at 25℃
CAS DataBase Reference 122-18-9(CAS DataBase Reference)
EPA Substance Registry System 122-18-9(EPA Substance)
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Safety Data

Symbol(GHS)  Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)
GHS05,GHS07,GHS09
Signal word  Danger
Hazard statements  H302-H314-H410
Precautionary statements  P260-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
Hazard Codes  Xi,N,C
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R50:Very Toxic to aquatic organisms.
R34:Causes burns.
R21/22:Harmful in contact with skin and if swallowed .
Safety Statements 
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S60:This material and/or its container must be disposed of as hazardous waste .
RIDADR  UN 3077 9/PG 3
WGK Germany  3
RTECS  BO6822450
F  3
TSCA  Yes
REACH Registrations Active
HazardClass  8
HS Code  29239000
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Corr. 1B
Toxicity
eye-rbt 150 mg MLD ARZNAD 9,349,59

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