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| CAS No.: | 112-00-5 |
|---|---|
| Name: | Dodecyltrimethylammonium chloride |
| Article Data: | 7 |
| Molecular Structure: | |
|
|
|
| Formula: | C15H34N.Cl |
| Molecular Weight: | 263.895 |
| Synonyms: | 1-Dodecanaminium,N,N,N-trimethyl-, chloride (9CI);Ammonium, dodecyltrimethyl-, chloride (8CI);Dodecyltrimethylammonium chloride (6CI);Adogen 412;Aliquat 4;CA 2150;Catinal LTC 35A;Catiogen L;Catiogen TML;Cation BB;Cation FB;DTAC;Dehyquart LT;I 0453;Laurtrimonium chloride;Lauryltrimethylammonium chloride;Lauryltrimonium chloride;Monolauryltrimethylammonium chloride;N,N,N-Trimethyl-1-dodecanaminiumchloride;N-Dodecyl-N,N,N-trimethylammonium chloride;Nissan Cation BB;NissanCation BB 300;Nissan Cation FB;Pionin B 111;Quartamin 24;Trimethyldodecylammonium chloride;Trimethyllaurylammoniumchloride; |
| EINECS: | 203-927-0 |
| Density: | 0.9265 (rough estimate) |
| Melting Point: | 237 ºC |
| Boiling Point: | 412.12°C (rough estimate) |
| Flash Point: | 19°C |
| Solubility: | soluble in water |
| Appearance: | Light yellow liquid |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | 36/37/38-50-50/53-22-67-11 |
| Safety: | 26-61-60-37/39-36 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 0.00000 |
| LogP: | 1.61750 |
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| Conditions | Yield |
|---|---|
| In methanol; ethanol for 24h; Heating; | 49% |
| With ethanol at 80 - 90℃; | |
| With water at 80℃; |
| Conditions | Yield |
|---|---|
| With pentane at 60℃; |
- 64-17-5
ethanol
- 112-52-7
1-chlorododecane
- 75-50-3
trimethylamine
- 112-00-5
trimethyldodecylammonium chloride
| Conditions | Yield |
|---|---|
| analoge Reaktionen mit hoeheren Alkylhalogeniden; |
A
- 112-00-5
trimethyldodecylammonium chloride
B
- 232279-44-6
Trp-Aib-Gly-Leu-NHPh
| Conditions | Yield |
|---|---|
| In chloroform-d1 at 24.84℃; Equilibrium constant; complex formation; |
A
- 112-00-5
trimethyldodecylammonium chloride
B
- 271770-12-8
Trp-Aib-Gly-Leu-NH-C6H3(3,5-Me2)
| Conditions | Yield |
|---|---|
| In chloroform-d1 at 24.84℃; Equilibrium constant; complex formation; |
- 929-73-7
dodecylammonium chloride
- 616-38-6
carbonic acid dimethyl ester
- 112-00-5
trimethyldodecylammonium chloride
| Conditions | Yield |
|---|---|
| With 1-ethyl-3-methylimidazolium bromide at 169.84℃; for 8h; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: aqueous ethanol / 60 - 80 °C 2: skellysolve-A / 60 °C View Scheme |
- 2719-42-8
α,α-dichloro-m-xylene
- 112-00-5
trimethyldodecylammonium chloride
- 3335-34-0
3-Methylbenzotrichloride
| Conditions | Yield |
|---|---|
| With sodium hydroxide In tetrachloromethane; water | 93.4% |
| Conditions | Yield |
|---|---|
| In water at 85℃; for 1.16667h; | 92% |
- 112-00-5
trimethyldodecylammonium chloride
- 112-55-0
1-dodecylthiol
- 349490-82-0
[lauryltrimethylammonium][Au(dodecanethiolate)2]
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol ammonium halide mixed with Au compd. (1:1), suspn. of ammonium chloroaurate treated with thiol (4 equiv.) and NaOMe (4 equiv.); pptd., filtered off, washed (water, MeOH), dried (vac.), elem. anal.; | 91% |
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Specification
The IUPAC name of Lauryltrimethylammonium chloride is dodecyl(trimethyl)azanium chloride. With the CAS registry number 112-00-5, it is also named as N,N,N-Trimethyl-1-dodecanaminium chloride. The product's categories are Alkylamine Salts & Quarternary Ammonium Salts (Surfactants); Ammonium Chlorides (Quaternary); Cationic Surfactants; Functional Materials; Quaternary Ammonium Compounds; Surfactants; Analytical Chemistry; HPLC Ion-Pair Reagents for Acidic Samples; Ion-Pair Reagents for HPLC; Water Ttreatment Chemicals; Ammonium Salts; Phase Transfer Catalysts. It is light yellow liquid which is hygroscopic and resistant to heat, light, strong acid and alkali. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.91; (6)ACD/BCF (pH 7.4): 1.91; (7)ACD/KOC (pH 5.5): 55.39; (8)ACD/KOC (pH 7.4): 55.39; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Rotatable Bond Count: 11; (13)Exact Mass: 263.237978; (14)MonoIsotopic Mass: 263.237978; (15)Heavy Atom Count: 17; (16)Complexity: 135.
Preparation of Lauryltrimethylammonium chloride: Adding 430kg N,N-dimethyldodecylamine into the reactor, and then adding a certain amount of isopropyl alcohol and water into the reactor. Using alkali as catalyst. After the replacement of the air of pressure vessel, it gradually warming and leading to 111kg monochlorosilane at 0.2 ~ 0.3MPa to react 4h. After cooling to atmospheric pressure, we can get the products.
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Uses of Lauryltrimethylammonium chloride: It can be used as catalysts, emulsifiers, fungicides, disinfectants, antistatic agents, cationicsurfactant and so on. And it can react with N-chloro-toluene-4-sulfonamide; sodium salt to get C15H34N1+*C7H7ClNO2S1-. This reaction needs solvent water at temperature of 5 °C. The reaction time is 5 hours. The yield is 86%.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable, harmful if swallowed and irritating to eyes, respiratory system and skin. Moreover, this chemical 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 suitable protective clothing, gloves and eye/face protection. This material and its container must be disposed of as hazardous waste.
People can use the following data to convert to the molecule structure.
1. SMILES:[Cl-].C(CCCC[N+](C)(C)C)CCCCCCC
2. InChI:InChI=1/C15H34N.ClH/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
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | oral | 300mg/kg (300mg/kg) | National Technical Information Service. Vol. OTS0543823, |