139-08-2

Name Tetradecyldimethylbenzylammonium chloride
CAS 139-08-2
EINECS(EC#) 205-352-0
Molecular Formula C23H42ClN
MDL Number MFCD00011771
Molecular Weight 368.04
MOL File 139-08-2.mol
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Chemical Properties

Definition Aquaternary ammonium compound. Free-flowingpowder.
Melting point  56-62 °C
density  1.02[at 20℃]
vapor pressure  0Pa at 25℃
storage temp.  2-8°C
solubility  water: soluble1g/10 mL, clear, colorless
form  White powder
color  White to Almost white
Water Solubility  almost transparency
Detection Methods T
Merck  1059
Henry's Law Constant 7.6×105 mol/(m3Pa) at 25℃, HSDB (2015)
Stability: Hygroscopic
Cosmetics Ingredients Functions PRESERVATIVE
InChI InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1
InChIKey OCBHHZMJRVXXQK-UHFFFAOYSA-M
SMILES C1(=CC=CC=C1)C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]
LogP 3.2 at 20℃
CAS DataBase Reference 139-08-2(CAS DataBase Reference)
EPA Substance Registry System 139-08-2(EPA Substance)
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Safety Data

Symbol(GHS)  Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)Skull and Crossbones (GHS06)
GHS05,GHS07,GHS09,GHS06
Signal word  Danger
Hazard statements  H301-H312+H332-H302-H312-H318-H302+H312-H314-H400
Precautionary statements  P260h-P301+P330+P331-P303+P361+P353-P501a-P260-P264-P270-P271-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P391-P405-P501-P273-P280-P305+P351+P338-P310
Hazard Codes  C,N
Risk Statements 
R21/22:Harmful in contact with skin and if swallowed .
R34:Causes burns.
R50:Very Toxic to aquatic organisms.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S60:This material and/or its container must be disposed of as hazardous waste .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  UN 3261 8/PG 3
WGK Germany  3
RTECS  BO7150000
F  3
TSCA  Yes
REACH Registrations Active
HazardClass  8
PackingGroup  III
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
Safety Profile
A skin and eye irritant. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Cl-.
Hazardous Substances Data 139-08-2(Hazardous Substances Data)

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