Dioctadecyl dimethyl ammonium chloride

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.