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Octadecy trimethyl ammonium chloride

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Name

Octadecy trimethyl ammonium chloride

EINECS 203-929-1
CAS No. 112-03-8 Density 0.6363 (g/ml)
PSA 0.00000 LogP 3.95810
Solubility Soluble in water 1.759 mg/L @ 25°C. Melting Point 80°C
Formula C21H46N.Cl Boiling Point 100°C
Molecular Weight 348.056 Flash Point N/A
Transport Information N/A Appearance solid
Safety 26-36/37/39-37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 112-03-8 (Trimethylstearylammonium Chloride) Hazard Symbols HarmfulXn
Synonyms

Trimethyloctadecylammonium chloride (6CI);Aliquat 7;Arquad 18;Arquad18-50;Arquad 18-55;Arquad 18-63;Boraquat P 30;CA 2450;Stearimonium chloride;Steartrimonium chloride;Stearyltrimethylammonium chloride;Stearyltrimoniumchloride;Trimethylstearylammonium chloride;Varisoft TSC;1-Octadecanaminium,N,N,N-trimethyl-, chloride (9CI);Ammonium, trimethyloctadecyl-, chloride(8CI);

Article Data 3

Octadecy trimethyl ammonium chloride Consensus Reports

Reported in EPA TSCA Inventory.

Octadecy trimethyl ammonium chloride Specification

The Trimethyloctadecylammonium chloride is an organic compound with the formula C21H46N.Cl. The IUPAC name of this chemical is trimethyl(octadecyl)azanium chloride. With the CAS registry number 112-03-8, it is also named as N,N,N-Trimethyl-1-octadecanaminium chloride. The product's categories are Hair Care; Home Care; Alkylamine Salts & Quarternary Ammonium Salts (Surfactants); Ammonium Chlorides (Quaternary); Cationic Surfactants; Functional Materials; Quaternary Ammonium Compounds; Surfactants; Water Ttreatment Chemicals. Besides, it should be stored in a cool and well-ventilated place. It is used as a textile fiber antistatic agent, hair conditioner, asphalt, emulsifier of rubber and silicone oil. And it is widely used sanitizers.

Preparation: this chemical can be prepared by eighth tertiary amine and isopropanol. This reaction will need catalyst Sodium hydroxide.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
(2)InChI: InChI=1/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: VBIIFPGSPJYLRR-REWHXWOFAY
(4)Std. InChI: InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
(5)Std. InChIKey: VBIIFPGSPJYLRR-UHFFFAOYSA-M

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 536mg/kg (536mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. Vol. (103), Pg. 37, 1985.
mouse LD50 skin 1600mg/kg (1600mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE"

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. Vol. (103), Pg. 37, 1985.
mouse LDLo unreported 50mg/kg (50mg/kg)   Annals of Tropical Medicine and

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