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112-02-7

112-02-7 structural image
Product Name: N-Hexadecyltrimethylammonium chloride
Formula: C19H42ClN
Synonyms: Cetyltrimethylammonium chloride;Hexadecyltrimethylammonium chloride solution
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Hexadecyltrimethylammonium chloride appears as colorless to pale yellow liquid with an odor of rubbing alcohol. Floats or sinks in water. (USCG, 1999)
Boiling Point 180 °F at 760 mmHg (isopropyl alcohol) (USCG, 1999)
Flash Point 69 °F (USCG, 1999)
Solubility Water solubility: 440 mg/l at 30 °C
Density 0.9 at 77 °F (approx.) (USCG, 1999) - Less dense than water; will float
LogP log Kow= 3.23
Autoignition Temperature 750 °F (USCG, 1999)
Decomposition When heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides/.
Other Experimental Properties CLEAR TO PALE YELLOW LIQUID; RUBBING ALCOHOL ODOR /CETYLTRIMETHYLAMMONIUM CHLORIDE SOLN/
Chemical Classes Nitrogen Compounds -> Quaternary Amines

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H311:Acute toxicity,dermal
H314:Skin corrosion/irritation
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 320.0 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 15
Exact Mass 319.3005780 g/mol
Monoisotopic Mass 319.3005780 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 181
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Hexadecyltrimethylammonium chloride appears as colorless to pale yellow liquid with an odor of rubbing alcohol. Floats or sinks in water. (USCG, 1999)

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