CAS No.1119-97-7,Cetrimide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1119-97-7
Name:	Cetrimide
Article Data:	8

Formula:	C₁₇H₃₈N^.Br
Molecular Weight:	350.426
Synonyms:	Tetradonium bromide;1-Tetradecanaminium, N,N,N-trimethyl-, bromide;Myristyl trimethyl ammonium bromide;Myristyltrimethylammonium bromide;N,N,N-Trimethyl-1-tetradecanaminium bromide;Myrtrimonium bromide;Ammonium, trimethyltetradecyl-, bromide;Bromure de tetradonium;Quaternium 13;Trimethyltetradecylammonium bromide;
EINECS:	214-291-9
Density:	1.1328 (rough estimate)
Melting Point:	245-250 °C
Solubility:	20 g/100 mL in water
Appearance:	white powder
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45-27
Transport Information:	UN 3263 8/PG 2
PSA:	0.00000
LogP:	2.39770

Raw Materials

112-71-0

75-50-3

Downstream Products

52752-51-9

Total:166 Page 1 of 5 1 2 3 4 5 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The IUPAC name of Tetradecyl trimethyl ammonium bromide is trimethyl(tetradecyl)azanium bromide. With the CAS registry number 1119-97-7, it is also named as Myristyl trimethyl ammonium bromide. The product's categories are Ammonium Bromides (Quaternary); Quaternary Ammonium Compounds, and the other registry number is 114568-24-0. Besides, it is white powder, which should be stored in tightly sealed containers in a cool, dry place. It is stable, hygroscopic, and incompatible with strong oxidizing agents. In addition, its molecular formula is C₁₇H₃₈N^.Br and molecular weight is 336.40. This chemical is used as a surface active agent that is applied to shampoo, rubber, paint and other industries.

Physical properties about Tetradecyl trimethyl ammonium bromide are: (1)ACD/LogP: 1.536; (2)ACD/LogD (pH 5.5): 1.54; (3)ACD/LogD (pH 7.4): 1.54; (4)ACD/BCF (pH 5.5): 8.66; (5)ACD/BCF (pH 7.4): 8.66; (6)ACD/KOC (pH 5.5): 163.20; (7)ACD/KOC (pH 7.4): 163.20; (8)#H bond acceptors:1; (9)#Freely Rotating Bonds: 13

When you are using this chemical, please be cautious about it as the following: it may cause burns. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing, gloves and eye/face protection. And please take off immediately all contaminated clothing. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: [Br-].C(CCCC[N+](C)(C)C)CCCCCCCCC
(2)InChI: InChI=1/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: CXRFDZFCGOPDTD-REWHXWOFAL

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	358mg/kg (358mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	National Technical Information Service. Vol. OTS0537650,
mouse	LD50	intravenous	12mg/kg (12mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Acta Pharmacologica et Toxicologica. Vol. 47, Pg. 17, 1980.
rat	LD50	intravenous	15mg/kg (15mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Acta Pharmacologica et Toxicologica. Vol. 47, Pg. 17, 1980.
rat	LD50	oral	3900mg/kg (3900mg/kg)	MUSCULOSKELETAL: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	National Technical Information Service. Vol. OTS0543791,