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139-07-1

Basic Information
CAS No.: 139-07-1
Name: 1227
Article Data: 32
Molecular Structure:
Molecular Structure of 139-07-1 (1227)
Formula: C21H38ClN
Molecular Weight: 339.992
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;
EINECS: 205-351-5
Density: 1.03[at 20℃]
Melting Point: ~60 °C
Boiling Point: 162.7℃[at 101 325 Pa]
Solubility: 2g/L at 20℃
Appearance: Pale yellow transparent liquid
Hazard Symbols: CorrosiveC,DangerousN
Risk Codes: 21/22-34-50-50/53
Safety: 36/37/39-45-61-60-26
Transport Information: UN 3261 8/PG 3
PSA: 0.00000
LogP: 3.18790
Synthetic route
112-18-5

N,N-dimethylaminododecane

100-44-7

benzyl chloride

139-07-1

zephirol

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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;
143-15-7

1-dodecylbromide

139-07-1

zephirol

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In water at 60℃; for 6h;99%
139-07-1

zephirol

65180-40-7

N,N-Dimethyl-N-sulfobenzyl-N-dodecylammonium

Conditions
ConditionsYield
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%
Downstream Products
400-99-7
99-61-6
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    Product Name: Dodecyldimethylbenzylammonium chloride CAS: 139-07-1 MF: C21H38ClN MW: 339.99 EINECS: 205-351-5 Mol File: 139-07-1.mol Dodecyldimethylbenzylammonium chloride Structure Dodecyldimethylbenzylammonium chloride Chemical

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    Product name: Dodecyl Dimethyl Benzyl Ammonium Chloride CAS No.: 139-07-1 Molecule Formula:C21H38ClN Molecule Weight:339.99 Purity: 80.0% Package: 200kg/drum Description:Colorless or light yellow transparent liquid Manufacture Standar

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Chemistry

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-]

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.

Safety Profile

Poison by ingestion and intraperitoneal routes. A skin and eye irritant. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Cl.
Safety Information of Dodecyldimethylbenzylammonium chloride (CAS NO.139-07-1):
Hazard Codes: CorrosiveC,DangerousN
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

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.