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Dodecyl trimethyl ammonium bromide

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Name

Dodecyl trimethyl ammonium bromide

EINECS 214-290-3
CAS No. 1119-94-4 Density 1.1566 (rough estimate)
PSA 0.00000 LogP 1.61750
Solubility 0.1 M at 20 °C in water Melting Point 246 °C
Formula C15H34NBr Boiling Point N/A
Molecular Weight 308.346 Flash Point 246 °C
Transport Information UN 3077 Appearance white to slightly yellow powder
Safety 26-36-37/39 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 1119-94-4 (Dodecyl trimethyl ammonium bromide) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

N-Lauryl-N,N,N-trimethylammoniumbromide;Trimethyldodecylammonium bromide;Trimethyllaurylammonium bromide;n-Dodecyltrimethylammonium bromide;1-Dodecanaminium,N,N,N-trimethyl-, bromide (9CI);Ammonium, dodecyltrimethyl-, bromide (8CI);DDTMA;DTAB;DTAB (surfactant);Dctab;FSM 23;LTAB;Lauryltrimethylammonium bromide;Morpan D;N,N,N-Trimethyl-1-dodecanaminium bromide;N,N,N-Trimethyldodecan-1-ammoniumbromide;N-Dodecyl-N,N,N-trimethylammonium bromide;

Article Data 20

Dodecyl trimethyl ammonium bromide Consensus Reports

Reported in EPA TSCA Inventory.

Dodecyl trimethyl ammonium bromide Specification

The IUPAC name of Dodecyl trimethyl ammonium bromide is dodecyl(trimethyl)azanium bromide. With the CAS registry number 1119-94-4, it is also named as 1-Dodecanaminium, N,N,N-trimethyl-, bromide. The product's categories are Ammonium Bromides (Quaternary); Quaternary Ammonium Compounds; Ion-pair Reagents, and the other registry number is 157929-06-1. Besides, it is white to slightly yellow powder, which should be stored in closed container in a cool, dry place. In addition, its molecular formula is C15H34NBr and molecular weight is 308.34.

The other characteristics of this product can be summarized as: (1)H-Bond Acceptor: 1; (2)Rotatable Bond Count: 11; (3)Exact Mass: 307.187463; (4)MonoIsotopic Mass: 307.187463; (5)Topological Polar Surface Area: 0; (6)Heavy Atom Count: 17; (7)Complexity: 135; (8)EINECS: 214-290-3; (9)Melting point: 246 °C; (10)Flash Point: 246 °C; (11)Water Solubility: 0.1 M at 20 °C.

Uses of Dodecyl trimethyl ammonium bromide: this chemical is used as emulsifier of rubber and asphalt. It is also used for disinfection of silkworm rearing room. Additionally, it can be used as anti-static agent of synthetic fibre, oil-field flooding fungicide, and surfactant. Similarly, it can be used to produce Dodecyltrimethylammonium bromite.



This reaction needs Potassium bromide and H2O at temperature of 40-50 °C by electrolysis. The yield is 100 %.

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

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)C.[Br-]
(2)InChI: InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: XJWSAJYUBXQQDR-UHFFFAOYSA-M

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5200ug/kg (5.2mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Acta Pharmacologica et Toxicologica. Vol. 47, Pg. 17, 1980.
rabbit LDLo skin 800mg/kg (800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
National Technical Information Service. Vol. OTS0545456,
rat LD50 intravenous 6800ug/kg (6.8mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Acta Pharmacologica et Toxicologica. Vol. 47, Pg. 17, 1980.

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