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Dioctadecyl dimethyl ammonium chloride

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Name

Dioctadecyl dimethyl ammonium chloride

EINECS 203-508-2
CAS No. 107-64-2 Density 0.8274 (rough estimate)
PSA 0.00000 LogP 10.58980
Solubility Soluble in polar solvents, slightly soluble in water Melting Point 149.4 - 151oC
Formula C38H80ClN Boiling Point 100oC
Molecular Weight 586.513 Flash Point N/A
Transport Information UN 3077 9/PG 3 Appearance light beige solid
Safety 24-26-39-46-60-61 Risk Codes 41-50/53
Molecular Structure Molecular Structure of 107-64-2 (Dioctadecyl dimethyl ammonium chloride) Hazard Symbols IrritantXi,DangerousN
Synonyms

Arquad 218-100P;Arquad 218P75E;Arquad 2HP;Arquad R 40;CA 3475;Cation DS;Cedequat TD 75;DODA(Cl);DODAC;Dehyquart DAM;Di-n-octadecyldimethylammonium chloride;Dimethyldioctadecanylammoniumchloride;Dimethyldistearylammonium chloride;Dioctadecyldimethylammoniumchloride;Distearyldimethylammonium chloride;Distearyldimonium chloride;Genamin DSAC;Genamin DSAC 20;HYQMD 1821C;KD 83;Kemamine Q 9702CLP;N,N-Dioctadecyl-N,N-dimethylammonium chloride;Nikkol CA 3475V;Praepagen WB;Prapagen WB;Quartamin D 85P;Quartamin D 86;Quartamin DM 86P;Quaternium 5;Sokalan9200;

Article Data 8

Dioctadecyl dimethyl ammonium chloride Synthetic route

3700-67-2

dimethyldioctadecylammonium bromide

107-64-2

dioctadecyldimethylammonium chloride

Conditions
ConditionsYield
With ion-exchange resin AG2-X (20-50 mesh) In methanol; chloroform

dioctadecyl dimethylammonium hydroxide

107-64-2

dioctadecyldimethylammonium chloride

Conditions
ConditionsYield
With sodium hydroxide at 25℃; Equilibrium constant;

Dioctadecyl dimethyl ammonium chloride Consensus Reports

Reported in EPA TSCA Inventory.

Dioctadecyl dimethyl ammonium chloride Specification

The IUPAC name of this product is dimethyl(dioctadecyl)azanium chloride. With the CAS registry number 107-64-2, it is also named as 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, chloride; N,N-Dimethyl-N-octadecyl-1-octadecanaminium chloride; Quaternium-5; Ammonium, dimethyldioctadecyl-, chloride; Kemamine Q 9702CLP; Quartamin DM 86P; Surfroyal DSAC; Talofloc; Cedequat TD 75; Di-n-octadecyldimethylammonium chloride. The product's categories are hair care, home care, slkylamine salts & quarternary ammonium salts (surfactants), ammonium chlorides (quaternary), cationic surfactants, functional materials, quaternary ammonium compounds and surfactants.   

The Distearyl dimethylammonium chloride is light beige solid which is soluble in polar solvents and slightly soluble in water. It is hygroscopic, stable, combustible and incompatible with strong oxidizing agents. In addition, it has good emulsifying, dispersing, anti-static and corrosion protection. So it is used in fabric softeners, cosmetics, and hair conditioners in which it is added primarily for its antistatic effects. It is also used in organic synthesis as a phase transfer catalyst to increase reaction rates in a two-phase organic-water system.

The Distearyl dimethylammonium chloride may be serious damage to the eyes. It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear eye / face protection. If swallowed, seek medical advice immediately and show this container or label. This material and its container must be disposed of as hazardous waste. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 9.42; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.41; (4)ACD/LogD (pH 7.4): 9.41; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3151619; (8)ACD/KOC (pH 7.4): 3151619; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 34; (12)Rotatable Bond Count: 34; (13)Exact Mass: 585.597929; (14)MonoIsotopic Mass: 585.597929; (15)Heavy Atom Count: 40; (16)Complexity: 391.

People can use the following data to convert to the molecule structure. SMILES: [Cl-].C(CCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)C)CCCCCCCCCCCC; InChI: InChI=1/C38H80N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1.

The following is the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 11300mg/kg (11300mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. Vol. (101), Pg. 152, 1983.
 

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