Dodecyldimethylbenzylammonium chloride supplier

Name
1227
EINECS 205-351-5
CAS No. 139-07-1
Article Data32
CAS DataBase
Density 1.03[at 20℃]
Solubility 2g/L at 20℃
Melting Point ~60 °C
Formula C₂₁H₃₈ClN
Boiling Point 162.7℃[at 101 325 Pa]
Molecular Weight 339.992
Flash Point
Transport Information UN 3261 8/PG 3
Appearance Pale yellow transparent liquid
Safety 36/37/39-45-61-60-26
Risk Codes 21/22-34-50-50/53
Molecular Structure
Hazard Symbols C,N
Synonyms Dodecyl dimethyl benzyl ammonium chloride;Benzenemethanaminium,N-dodecyl-N,N-dimethyl-, chloride (9CI);Benzyldodecyldimethylammonium chloride(6CI);Benzododecinium chloride;Benzyldimethyllaurylammonium chloride;Catigene OM;Catinal CB 50;Catiolite BC 50;Cationic1227;Cequartyl A;Croda N-Dodecyl;DYK 1125;Dehyquart LDB;N-Dodecyl-N,N-dimethyl-N-benzylammonium chloride;N-Dodecyl-N,N-dimethylbenzenemethanaminium chloride;
PSA 0.00000
LogP 3.18790

Synthetic route

: 112-18-5
N,N-dimethylaminododecane

: 100-44-7
benzyl chloride

: 139-07-1
zephirol

Conditions

Conditions	Yield
In acetone at 40℃; for 3h; Temperature; Solvent; Large scale;	92.5%
In acetone at 50℃; for 5h; Temperature; Autoclave; Large scale;	91.5%
In water at 60 - 65℃; for 0.3h;	80%

: 103-83-3
N,N'-dimethylbenzylamine

: 112-52-7
1-chlorododecane

: 139-07-1
zephirol

Conditions

Conditions	Yield
In ethanol at 80℃; for 28h;	35.3%
In ethanol at 80℃; for 28h;	35.3%
With ethanol

: 112-53-8
1-dodecyl alcohol

P2O5: P2O5

: 139-07-1
zephirol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: zinc chloride, hydrogen chloride / 13 h / 140 °C 2: H2O / 16 h / 140 - 150 °C 3: H2O / 4 h / 60 - 65 °C View Scheme

: 112-52-7
1-chlorododecane

: 139-07-1
zephirol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2O / 16 h / 140 - 150 °C 2: H2O / 4 h / 60 - 65 °C View Scheme

: 143-15-7
1-dodecylbromide

copper (I)-benzenethiolate: copper (I)-benzenethiolate

: 139-07-1
zephirol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ethanol 2: H2O View Scheme

: 112-18-5
N,N-dimethylaminododecane

: 112-75-4
N,N-dimethyl-n-tetradecylamine

: 100-44-7
benzyl chloride

A: 139-07-1
zephirol

B: 139-08-2
benzyldimethyltetradecylammonium chloride

Conditions

Conditions	Yield
at 40 - 90℃; for 25h;
Stage #1: N,N-dimethylaminododecane; N,N-dimethyl-n-tetradecylamine; benzyl chloride In water at 40 - 80℃; Stage #2: at 80 - 90℃; for 2.5h;

...Expand

: 143-15-7
1-dodecylbromide

: 139-07-1
zephirol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium hydroxide / water; benzene / 20 h / 20 - 25 °C / 760.05 Torr 2: water / 0.3 h / 60 - 65 °C View Scheme
Multi-step reaction with 2 steps 1: water; benzene / 20 h / 20 - 25 °C 2: water / 0.3 h / 60 - 65 °C View Scheme

: 4536-30-5
ethylene glycol mono-n-dodecyl ether

: 139-07-1
zephirol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: pyridine; phosphorus tribromide / 2 h / -10 - 25 °C 2: water; benzene / 20 h / 20 - 25 °C 3: water / 0.3 h / 60 - 65 °C View Scheme
Multi-step reaction with 3 steps 1: pyridine; phosphorus tribromide / 2 h / -10 - 25 °C 2: sodium hydroxide / water; benzene / 20 h / 20 - 25 °C / 760.05 Torr 3: water / 0.3 h / 60 - 65 °C View Scheme

: 139-07-1
zephirol

: 84864-61-9
rac-Potassium mandelate

: 1287759-37-8
benzyldimethyldodecylammonium mandelate

Conditions

Conditions	Yield
In water at 60℃; for 6h;	99%

: 139-07-1
zephirol

: 65180-40-7
N,N-Dimethyl-N-sulfobenzyl-N-dodecylammonium

Conditions

Conditions	Yield
With chlorosulfonic acid at 50℃; under 1500.15 Torr; for 14h; Temperature; Large scale;	98.74%
With sulfur trioxide In 1,2-dichloro-ethane at 40 - 55℃; for 3h; Temperature; Large scale;	98.22%

: 95-14-7
1,2,3-Benzotriazole

: 139-07-1
zephirol

: benzyldimethyldodecylammonium benzotriazole

Conditions

Conditions	Yield
With sodium hydroxide In water at 70℃; Heating;	96%

: sodium bis(2-ethylhexyl)-sulfosuccinate

: 139-07-1
zephirol

: benzyldimethyldodecylammonium di-(2-ethylhexyl)sulfosuccinic acid

Conditions

Conditions	Yield
In water; acetone at 25℃; for 168h; Inert atmosphere;	95%

: 139-07-1
zephirol

: 121-17-5
2-chloro-3-nitro-5-trifluoromethylbenzene

: 400-99-7
2-nitro-4-trifluoromethylphenol

Conditions

Conditions	Yield
With sodium hydroxide In hydrogenchloride; methanol	91%

: 7631-95-0
sodium molybdate dihydrate

: 7722-84-1
dihydrogen peroxide

: 144-62-7
oxalic acid

: 139-07-1
zephirol

: C2MoO9(2-)*2C21H38N(1+)

Conditions

Conditions	Yield
Stage #1: sodium molybdate dihydrate; dihydrogen peroxide With sulfuric acid In water pH=2; Stage #2: oxalic acid; zephirol In water for 0.0833333h; pH=2; Cooling with ice;	85%

...Expand

: 139-07-1
zephirol

: 1939-99-7
benzenesulfonyl chloride

: 329-98-6
phenylmethylsulphonyl fluoride

Conditions

Conditions	Yield
With potassium fluoride In dichloromethane; water	77%

: 139-07-1
zephirol

: Benzyl Thiosulphate

Conditions

Conditions	Yield
	48%

: 139-07-1
zephirol

: 124-38-9
carbon dioxide

Conditions

Conditions	Yield
With oxygen; titanium(IV) oxide In water Rate constant; Mechanism; Irradiation; on the surface of admixed TiO2, various reaction times;

: 6734-84-5
1,1,1-trichloro-2,2-bis-(o-chlorophenyl)ethane

: 139-07-1
zephirol

: 3328-98-1
1,1-bis(chlorophenyl)-2,2-dichloroethylene

Conditions

Conditions	Yield
With sodium hydroxide In water; chlorobenzene
With sulfuric acid In water

: 6289-46-9
dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate

: 139-07-1
zephirol

: 106-47-8
4-chloro-aniline

: 41680-76-6
2,5-di(4-chloro-anilino)terephthalic acid

Conditions

Conditions	Yield
With hydrogenchloride In methanol; water; acetic acid

...Expand

: 3395-79-7
m-nitrobenzaldehyde dimethylacetal

: 139-07-1
zephirol

: 99-61-6
3-nitro-benzaldehyde

: 3-(1'-cyclohexenyl)-2-methylbenzaldehyde

: 139-07-1
zephirol

: 59952-40-8, 55710-82-2, 60269-51-4, 61914-49-6, 68198-95-8, 68198-96-9, 73952-09-7, 121313-43-7
2,2-dimethyl-3-(2',2'-dibromovinyl)-cyclopropane-1-carboxylic acid chloride

: 3-(2',2'-dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid-[3-(1'-cyclohexenyl)-2-methyl-α-cyanobenzyl]-ester

Conditions

Conditions	Yield
In water

...Expand

: 2,4-dichlorophenoxyethyl bromide

: 139-07-1
zephirol

: 58905-18-3
1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-1-ethanol

: 1-(2,4-dichlorophenyl)-1-(2,4-dichlorophenoxyethoxy)-2-(1,2,4-triazol-1-yl)-1-ethanol

Conditions

Conditions	Yield
With sodium hydroxide In diethyl ether; toluene

...Expand

: 90-04-0
2-methoxy-phenylamine

: 139-07-1
zephirol

: 107-06-2
1,2-dichloro-ethane

: 3-methoxybenzenesulphochloride

Conditions

Conditions	Yield
With CuCl2; sulfur dioxide; dihydrogen peroxide

...Expand

: 13804-54-1, 13804-57-4, 13804-58-5, 80-04-6
4,4'-isopropylidenedicyclohexanol

: 139-07-1
zephirol

: 107-05-1
3-chloroprop-1-ene

: 81866-55-9
perhydrobisphenol A diallyl ether

Conditions

Conditions	Yield
With sodium hydroxide In water; toluene

...Expand

: N-(1-chloroethyl)-pyrazole hydrochloride

: 2-ethyl-6-methyl-chloroacetanilide

: 139-07-1
zephirol

: 2-ethyl-6-methyl-N-(pyrazol-1-yl-eth-1-yl)-chloroacetanilide

Conditions

Conditions	Yield
With sodium hydroxide In dichloromethane; water

...Expand

: 139-07-1
zephirol

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 55219-65-3, 70585-35-2, 70585-37-4, 82200-72-4, 89482-17-7, 89497-63-2, 89497-64-3, 89497-65-4, 89497-66-5
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

: 81-04-9
naphthalene-1,5-disulfonate

: 2-(4-chlorobenzyloxy)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butane naphthalene-1,5-disulphonate

Conditions

Conditions	Yield
In acetone; toluene

...Expand

: 139-07-1
zephirol

: 139-08-2
benzyldimethyltetradecylammonium chloride

: 139-05-9
sodium cyclamate

A: C21H38N(1+)*C6H12NO3S(1-)

B: C23H42N(1+)*C6H12NO3S(1-)

Conditions

Conditions	Yield
In water at 20℃; for 24h; Overall yield = 92 %;

...Expand

: 151-21-3
sodium dodecyl-sulfate

: 139-07-1
zephirol

: benzyldimethyldodecylammonium dodecylsulfate

Conditions

Conditions	Yield
In water

: 143-66-8
sodium tetraphenyl borate

: 139-07-1
zephirol

: benzyldimethyldodecylammonium tetraphenylborate

Conditions

Conditions	Yield
In water

Dodecyldimethylbenzylammonium chloride Chemical Properties

Molecular Structure of Dodecyldimethylbenzylammonium chloride (CAS NO.139-07-1):

IUPAC Name: benzyl-dodecyl-dimethylazanium chloride
CAS Number: 139-07-1
Molecular Formula: C₂₁H₃₈ClN
Molecular Weight: 339.99
ACD/LogP: 1.69
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.69
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 5.5): 11.37
ACD/BCF (pH 7.4): 11.37
ACD/KOC (pH 5.5): 198.29
ACD/KOC (pH 7.4): 198.29
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 13
Polar Surface Area: 0Å²
EINECS: 205-351-5
Melting Point: 60^°C
Appearance: White Powder
liansport Information: OTH
Product Categories: Organics; Biocide; Water Ttreatment Chemicals
InChI
InChI=1/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
Smiles
c1(C[N+](CCCCCCCCCCCC)(C)C)ccccc1.[ClH-]

Dodecyldimethylbenzylammonium chloride Toxicity Data With Reference

1.	skn-rbt 1 mg/24H	OYYAA2 Oyo Yakuri. Pharmacometrics. 6 (1972),329.
2.	eye-rbt 1 mg	OYYAA2 Oyo Yakuri. Pharmacometrics. 6 (1972),329.
3.	orl-rat LD50:400 mg/kg	85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,490.
4.	ipr-rat LD50:100 mg/kg	85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,490.

Dodecyldimethylbenzylammonium chloride Safety Profile

Poison by ingestion and intraperitoneal routes. A skin and eye irritant. When heated to decomposition it emits very toxic fumes of NO_x, NH₃, and Cl⁻.
Safety Information of Dodecyldimethylbenzylammonium chloride (CAS NO.139-07-1):
Hazard Codes: Corrosive C, Dangerous N
Risk Statements: 21/22-34-50-50/53
R21/22:Harmful in contact with skin and if swallowed.
R34:Causes burns.
R50:Very toxic to aquatic organisms.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 36/37/39-45-61-60-26
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S60:This material and its container must be disposed of as hazardous waste.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 3261 8/PG 3
WGK Germany: 2
RTECS: BO6821500
F: 3-10

Dodecyldimethylbenzylammonium chloride Specification

Dodecyldimethylbenzylammonium chloride , with CAS number of 139-07-1, can be called N-Benzyl-N-dodecyl-N,N-dimethylammonium chloride ; N-Dodecyl-N,N-dimethylbenzenemethanaminium chloride ; Lauryldimethylbenzylammonium chloride ; Lauryl benzalkonium chloride ; Dodecyldimethylbenzylammonium chloride ; Dodecylbenzyldimethylammonium chloride ; Dehyquart LDB ; Benzenemethanaminium,N-dodecyl-N,N-dimethyl-, chloride (9CI) ; Dodecyl dimethyl benzyl ammonium chloride . Dodecyldimethylbenzylammonium chloride (CAS NO.139-07-1) can be used for acrylic leveling agent, dyeing and printing fabrics slow dye, oil wells fungicides, cooling water system sterilization algicide, disinfectants, medical equipment, etc.

Product Name

1227

Synthetic route

Dodecyldimethylbenzylammonium chloride Chemical Properties

Dodecyldimethylbenzylammonium chloride Toxicity Data With Reference

Dodecyldimethylbenzylammonium chloride Safety Profile

Dodecyldimethylbenzylammonium chloride Specification

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