Dodecyldimethylbenzylammonium chloride

Iupac Name：benzyl-dodecyl-dimethylazanium;chloride

Molecular Weight：339.98612

Modify Date.: 2022-11-25 02:15

Introduction: Quaternary ammonium composition to treat herpes, pseudomonas, staph, hepatitis and other infectious diseases. Dodecyldimethylbenzylammonium chloride Preparation Products And Raw materials Raw materials View more+

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1. Names and Identifiers

1.1 Name: Dodecyldimethylbenzylammonium chloride
1.2 Synonyms: Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride (1:1) Benzenemethanaminium,N-dodecyl-N,N-dimethyl-,chloride Benzododecinii chloridum benzododecinium chloride benzyldimethyldodecyl-ammoniuchloride BENZYLDIMETHYLDODECYLAMMONIUM CHLORIDE Benzyldimethyldodecylammonium chloride (DDBAC) Benzyldimethyldodecylammonium Chloride Dihydrate benzyldimethyl-n-dodecylammonium chloride benzyldodecyldimethyl-ammoniuchloride BENZYLDODECYLDIMETHYLAMMONIUM CHLORIDE benzyl-dodecyl-dimethyl-ammonium chloride Benzyldodecyldimethylammonium Chloride Dihydrate Benzyllauryldimethylammonium chloride c12-alkylbenzyldimethylammonium chloride Cationicsurfaceactiveagent1227 DDBAC dimethylbenzyldodecylammonium chloride DIMETHYLBENZYLLAURYLAMMONIUM CHLORIDE DODECYL DIMETHYL BENZYL AMMONIUM CHLORIDE dodecyldimethylbenzylammonium EINECS 205-351-5 lauryl dimethyl benzyl ammonium chloride Levellingagent1227 MFCD00137276 N-Benzyl-N,N-dimethyl-1-dodecanaminium chloride N-Benzyl-N,N-dimethyldodecan-1-aminium chloride N-Benzyl-N,N-dimethyldodecan-1-aminiumchlorid n-dodecyldimethylbenzylammonium chloride N-Dodecyl-N,N-dimethylbenzenemethanaminium chloride n-Dodecyl-n,n-Dimethyl-Benzenemethanaminium Chloride OspintTAN Surfactant1227

1.3 CAS No.: 139-07-1

1.4 CID: 8753

1.5 EINECS(EC#): 205-351-5

1.6 Molecular Formula: C21H38ClN (isomer)

1.7 Inchi: InChI=1S/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

1.8 InChkey: JBIROUFYLSSYDX-UHFFFAOYSA-M

1.9 Canonical Smiles: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

1.10 Isomers Smiles: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

2. Properties

2.1 Melting point: 60°C

2.1 Precise Quality: 339.26900

2.1 PSA: 0.00000

2.1 logP: 3.18790

2.1 Appearance: White Powder

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: White fine crystalline powder

2.4 Water Solubility: Solubility in water at 20 °C: good

2.5 StorageTemp: Sealed in dry,Room Temperature

3. Use and Manufacturing

3.1 Usage: Quaternary ammonium composition to treat herpes, pseudomonas, staph, hepatitis and other infectious diseases. Dodecyldimethylbenzylammonium chloride Preparation Products And Raw materials Raw materials

4. Safety and Handling

4.1 Symbol: GHS05, GHS07, GHS09

4.1 Hazard Codes: C; N

4.1 Signal Word: Danger

4.1 Risk Statements: R21/22

4.1 Safety Statements: 36/37/39-45-61-60-26

4.1 Packing Group: III

4.1 Hazard Class: 8

4.1 Hazard Declaration: H302 + H312-H314-H400

4.1 RIDADR: OTH

4.1 Caution Statement: P273-P280-P305 + P351 + P338-P310

4.1 WGK Germany: 2

4.1 RTECS: BO6821500

4.1 Safety: 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:?C,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

4.2 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.

4.3 Toxicity

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.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin corrosion, Category 1B

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H302 Harmful if swallowed H312 Harmful in contact with skin H314 Causes severe skin burns and eye damage H400 Very toxic to aquatic life
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P273 Avoid release to the environment.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P391 Collect spillage.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Synthesis Route

139-07-1Total: 7 Synthesis Route

143-15-7 232 Suppliers

139-07-1 258 Suppliers

Literatures:
Pharmaceutical Chemistry Journal, , vol. 8, # 10 p. 602 - 604 Khimiko-Farmatsevticheskii Zhurnal, , vol. 8, # 10 p. 21 - 24
Yield: null

112-52-7 136 Suppliers

139-07-1 258 Suppliers

Literatures:
Pharmaceutical Chemistry Journal, , vol. 18, # 11 p. 784 - 787 Khimiko-Farmatsevticheskii Zhurnal, , vol. 18, # 11 p. 1344 - 1348
Yield: null

112-53-8 232 Suppliers

139-07-1 258 Suppliers

Literatures:
Pharmaceutical Chemistry Journal, , vol. 18, # 11 p. 784 - 787 Khimiko-Farmatsevticheskii Zhurnal, , vol. 18, # 11 p. 1344 - 1348
Yield: null

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7. Precursor and Product

precursor:

112-75-4

112-52-7

112-18-5

112-53-8

100-44-7

103-83-3

143-15-7

product :

3328-98-1

400-99-7

8. Other Information

8.0 Mesh: Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects. (See all compounds classified as Anti-Infective Agents, Local.)|Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed) (See all compounds classified as Disinfectants.)

8.1 Mesh Entry Terms: ADB-12

8.2 Manufacturing Info: Oil and gas drilling, extraction, and support activities|Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride (1:1): ACTIVE

8.3 Use Classification: Agrochemicals -> Herbicides|Cosmetics -> Antistatic; Preservative

8.4 BRN: 3921689

8.5 Chemical Properties: White fine crystalline powder

8.6 Uses

Benzyldimethyldodecylammonium chloride, a quaternary ammonium compound (QAC), is a cationic surfactant that shows antimicrobial activity against Gram-negative bacterium Pseudomonas fluorescens. It can be used as a:

corrosion inhibitor.
synergist to increase the toxicity of the pesticide, indoxacarb against various pests.
model for benzyltrialkylammonium salts to study the thermal degradation pathway of benzyl QACs.

9. Computational chemical data

Molecular Weight: 339.98612g/mol
Molecular Formula: C₂₁H₃₈ClN
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 339.2692779
Monoisotopic Mass: 339.2692779
Complexity: 240
Rotatable Bond Count: 13
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 0
Heavy Atom Count: 23
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 2
CACTVS Substructure Key Fingerprint: AAADcfB6AAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAAAAAADADBGAQyAIMAAACAAiBCAACCAAAgAAAIiAAIBIgIICKAkRGEIAhggACIiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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Dodecyldimethylbenzylammonium chloride