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| CAS No.: | 5538-94-3 |
|---|---|
| Name: | Bisoctyl dimethyl ammonium chloride |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C18H40ClN |
| Molecular Weight: | 305.975 |
| Synonyms: | 1-Octanaminium,N,N-dimethyl-N-octyl-, chloride (9CI);Ammonium, dimethyldioctyl-, chloride(8CI);Dimethyldioctylammonium chloride (7CI);AQ 208;Bardac LF;Bardac LF 18;Bardac LF 80;Dioctyldimethylammonium chloride;Dodigen 2617;HOE-S 2617;LF80;Pentonium DO 50;Querton 28CL;Querton 28CL50;RC 5626;Swanol CA 3080; |
| EINECS: | 226-901-0 |
| Density: | 0.889g/mLat 25°C |
| Melting Point: | 89°C (dec.)(lit.) |
| Boiling Point: | 1090°C(lit.) |
| Flash Point: | −26°F |
| Solubility: | 250mg/L at 25℃ |
| Appearance: | liquid |
| PSA: | 0.00000 |
| LogP: | 2.78780 |
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- 74-87-3
methylene chloride
- 4455-26-9
methyldioctylamine
- 5538-94-3
N,N-dimethyl-N,N-dioctylammonium chloride
| Conditions | Yield |
|---|---|
| With ethyl acetate at 80℃; |
- 5538-94-3
N,N-dimethyl-N,N-dioctylammonium chloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water |
- 111-85-3
1-Chlorooctane
- 7378-99-6
N,N-dimethyloctanamide
- 5538-94-3
N,N-dimethyl-N,N-dioctylammonium chloride
| Conditions | Yield |
|---|---|
| at 130℃; for 4h; Temperature; Autoclave; |
- 144550-36-7
methyl 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino] carbonyl]amino]sulfonyl]benzoate sodium salt
- 5538-94-3
N,N-dimethyl-N,N-dioctylammonium chloride
| Conditions | Yield |
|---|---|
| In water at 40℃; | 85% |
- 5538-94-3
N,N-dimethyl-N,N-dioctylammonium chloride
| Conditions | Yield |
|---|---|
| In 1,4-dioxane Heating; | 81% |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water pH=7; |
- 5538-94-3
N,N-dimethyl-N,N-dioctylammonium chloride
- 1579250-84-2
Cl4Fe(1-)*C18H40N(1+)
| Conditions | Yield |
|---|---|
| at 100℃; for 6h; | |
| at 100℃; for 6h; |
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Consensus Reports
EPA FIFRA 1988 pesticide subject to registration or re-registration.
| 1. | orl-mus LDLo:50 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0543823 . |
Consensus Reports:
Reported in EPA TSCA Inventory.
Specification
The Dioctyldimethylammonium chloride is an organic compound with the formula C18H40ClN. The IUPAC name of this chemical is dimethyl(dioctyl)azanium chloride. With the CAS registry number 5538-94-3, it is also named as N,N-Dimethyl-N-octyloctan-1-aminium chloride. The product's category is Water Ttreatment Chemicals. Besides, it is a quaternary ammonium based antimicrobial which is used as a bacteriostat, disinfectant and/or a microbiocide and is ideal for recirculating water systems where control of undesirable microbes without excessive foam is essential.
Physical properties about Dioctyldimethylammonium chloride are: (1)ACD/LogP: 0.79; (2)ACD/LogD (pH 5.5): 0.79; (3)ACD/LogD (pH 7.4): 0.79; (4)ACD/BCF (pH 5.5): 2.34; (5)ACD/BCF (pH 7.4): 2.34; (6)ACD/KOC (pH 5.5): 63.89; (7)ACD/KOC (pH 7.4): 63.89; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 14.
Preparation: this chemical can be prepared by Chloro-octane and methylamine. This reaction will need reagent water and isopropanol.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].C(CCCCC[N+](C)(CCCCCCCC)C)CC
(2)InChI: InChI=1/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: FARBQUXLIQOIDY-REWHXWOFAH
(4)Std. InChI: InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
(5)Std. InChIKey: FARBQUXLIQOIDY-UHFFFAOYSA-M
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | oral | 50mg/kg (50mg/kg) | National Technical Information Service. Vol. OTS0543823, |