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| CAS No.: | 57-09-0 |
|---|---|
| Name: | Hexadecyl trimethyl ammonium bromide |
| Article Data: | 44 |
| Molecular Structure: | |
|
|
|
| Formula: | C19H42BrN |
| Molecular Weight: | 476.914 |
| Synonyms: | 1-Hexadecanaminium,N,N,N-trimethyl-, bromide (9CI);Ammonium, hexadecyltrimethyl-, bromide (8CI);CTAB;CTMB;Catinal HTB 70ET;Cirrasol OD;HDTMA-Br;HTAB;Lissolamine;Micol;N,N,N-Trimethyl-1-hexadecanaminium bromide;N-Cetyl-N,N,N-trimethylammonium bromide;N-Hexadecyl-N,N,N-trimethylammonium bromide;Palmityltrimethylammoniumbromide;Pollacid;Softex KW;Trimethylhexadecylammonium bromide; |
| EINECS: | 200-311-3 |
| Density: | 1.1107 (rough estimate) |
| Melting Point: | 248-251 °C(lit.) |
| Flash Point: | 244 °C |
| Solubility: | H2O: 50 mg/mL |
| Appearance: | white powder |
| Hazard Symbols: |
 Xn,  N
|
| Risk Codes: | 22-37/38-41-50-50/53-36/37/38 |
| Safety: | 26-39-61-37/39-60-36 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 0.00000 |
| LogP: | 3.17790 |
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| Conditions | Yield |
|---|---|
| With methanol | |
| With ethanol | |
| With ethanol at 115℃; |
A
- 28995-89-3
1,3,6,8-tetranitronaphthalene
B
- 57-09-0
cetyltrimethylammonim bromide
| Conditions | Yield |
|---|---|
| In 1,4-dioxane at 25℃; Equilibrium constant; |
- 74784-26-2
hexadecyltrimethylammonium cyanide
A
- 143-33-9
sodium cyanide
B
- 57-09-0
cetyltrimethylammonim bromide
| Conditions | Yield |
|---|---|
| With sodium bromide In water at 20℃; Equilibrium constant; |
- 99023-50-4
4-(4-Dimethylamino-phenylazo)-benzenesulfonatehexadecyl-trimethyl-ammonium;
A
- 547-58-0
methyl orange
B
- 57-09-0
cetyltrimethylammonim bromide
| Conditions | Yield |
|---|---|
| With sodium bromide at 19.9℃; Equilibrium constant; var. temps.; |
- 57-09-0
cetyltrimethylammonim bromide
| Conditions | Yield |
|---|---|
| In ethanol at 80℃; for 0.0833333h; Sonication; |
| Conditions | Yield |
|---|---|
| With Amberlyst A-26(OH-)form In methanol | 100% |
| With Amberlite CG-400 resin | |
| With Amberlite IRA-900 In methanol |
| Conditions | Yield |
|---|---|
| With sodium hydroxide | 99% |
- 57-09-0
cetyltrimethylammonim bromide
| Conditions | Yield |
|---|---|
| With sulfuric acid; dihydrogen peroxide; potassium bromide; molybdic acid In water at 0 - 20℃; for 0.916667 - 3.5h; Product distribution / selectivity; | 98.86% |
| Conditions | Yield |
|---|---|
| In H2O synthesized by treating K2Cr2O7 in aqueous solution of ammonium-compd.; isolated, washed with H2O, dried in vac., kept in a dark bottle inside adesiccator, elem. anal.; | 98% |
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Chemistry
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IUPAC Name: Hexadecyl(trimethyl)azanium bromide
Canonical SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI: InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4; /h5-19H2,1-4H3; 1H/q+1; /p-1
InChIKey: LZZYPRNAOMGNLH-UHFFFAOYSA-M
Molecular Weight: 364.44748 [g/mol]
Molecular Formula: C19H42BrN
H-Bond Donor: 0
H-Bond Acceptor: 1
EINECS: 200-311-3
Melting Point: 248-251 °C(lit.)
Flash Point: 244 °C
Storage temp.: Store at RT.
Solubility: H2O: 50 mg/mL
Sensitive: Hygroscopic
Stability: Stable. Incompatible with strong oxidizing agents. Protect from moisture.
Product Categories: Organics; Ammonium Bromides (Quaternary); Biochemistry; Cationic Surfactants (for Biochemistry); Quaternary Ammonium Compounds; Surfactants (for Biochemistry)
Appearance: white powder
Classification Code of Hexadecanyltrimethylammonium bromide (CAS NO.57-09-0): Agricultural Chemical; Drug / Therapeutic Agent; Germicide, bactericide, disinfectant; Reproductive Effect; Skin / Eye Irritant
Uses
Hexadecanyltrimethylammonium bromide (CAS NO.57-09-0) is a cationic surfactant. Its uses include providing a buffer solution for the extraction of DNA. It has been widely used in synthesis of gold nanoparticles (e.g., spheres, rods, bipyramids). It is also widely used in hair conditioning products.
Toxicity Data With Reference
| 1. | skn-mus 50 mg/1H open | BJDEAZ British Journal of Dermatology. 86 (1972),361. | ||
| 2. | eye-rbt 450 mg SEV | AROPAW Archives of Ophthalmology. 40 (1948),668. | ||
| 3. | orl-rat LD50:410 mg/kg | YKYUA6 Yakkyoku. Pharmacy. 31 (1980),471. | ||
| 4. | ivn-rat LD50:44 mg/kg | APTOA6 Acta Pharmacologica et Toxicologica. 47 (1980),17. | ||
| 5. | ipr-mus LD50:106 mg/kg | FCTXAV Food and Cosmetics Toxicology. 13 (1975),331. | ||
| 6. | ivn-mus LD50:32 mg/kg | APTOA6 Acta Pharmacologica et Toxicologica. 47 (1980),17. | ||
| 7. | ipr-rbt LD50:125 mg/kg | PCOC** Pesticide Chemicals Official Compendium ,Association of the American Pesticide Control Officials, Inc.(Topeka, KS.: )1966,210. | ||
| 8. | scu-rbt LD50:125 mg/kg | PCOC** Pesticide Chemicals Official Compendium ,Association of the American Pesticide Control Officials, Inc.(Topeka, KS.: )1966,210. | ||
| 9. | scu-gpg LD50:100 mg/kg | 28ZEAL Pesticide Index. 5 (1976),40. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
A poison by ingestion, intravenous, intraperitoneal, and subcutaneous routes. Experimental teratogenic and reproductive effects. A skin and severe eye irritant. When heated to decomposition it emits very toxic fumes of NH3, NOx, and Br−.
Hazard Codes: 
Xn, 
N
Risk Statements:
22: Harmful if swallowed
41: Risk of serious damage to eyes
50: Very Toxic to aquatic organisms
36/37/38: Irritating to eyes, respiratory system and skin
37/38: Irritating to respiratory system and skin
50/53: Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
39: Wear eye/face protection
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet
37/39: Wear suitable gloves and eye/face protection
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
RTECS: BQ7875000
F: 3
HazardClass: 9
Specification
Hexadecanyltrimethylammonium bromide (CAS NO.57-09-0), its Synonyms are 1-Hexadecanaminium, N,N,N-trimethyl-, bromide ; CETAB ; Cetrimonium bromide ; Cetyl trimethyl ammonium bromide ; N,N,N-Trimethyl-1-hexadecanaminium bromide ; (1-Hexadecyl)trimethylammonium bromide ; 1-Hexadecanaminium, N,N,N-trimethyl-, bromide ; AI3-12209 ; Acetoquat CTAB ; Bromat ; Bromure de cetrimonium ; Suticide ; Trimethylcetylammonium bromide ; Trimethylhexadecylammonium bromide ; 1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1) .