Basic information
- Standard SMILES
CC[N+](CC)(CC)Cc1ccccc1.[Cl-]- InChIKey
HTZCNXWZYVXIMZ-UHFFFAOYSA-M- Molecular formula
- C13H22N.Cl
- Average molar mass
- 227.77 g/mol
Names & identifiers
- Preferred name
- Benzyl triethylammonium chloride
- IUPAC
- benzyl(triethyl)azanium chloride
- English name
- Benzyltriethylammonium chloride
- Molecular formula
- C13H22ClN
- Molecular weight
- 227.77
Names & synonyms
Benzyl triethylammonium chlorideRefChem:119011Benzyltriethylammonium chloride56-37-1BenzyltriethylammoniumChlorideTriethylbenzylammonium chlorideBenzyl triethyl ammonium chlorideTEBACN-benzyl-N,N-diethylethanaminium chlorideTEBABenzenemethanaminium, N,N,N-triethyl-, chloridebenzyltriethylazanium chloride
Show more names
BTMACBenzyltriethylammoniumchloridTRIMETHYLBENZYLAMMONIUM CHLORIDEBenzyl triethylamine chloride
BTEACAmmonium, benzyltriethyl-, chlorideMFCD00011824benzyltriethyl ammonium chloridebenzyl(triethyl)azanium;chlorideDTXSID9021710N,N,N-Triethylbenzenemethanaminium chlorideN-BENZYL-N,N,N-TRIETHYLAMMONIUM CHLORIDE
Database identifiers
- CAS
207124-62-7、56-37-1- PubChem CID
- 66133
- DTXSID
DTXSID9021710- UNII
- 46WDQ3ADML
- EC Number
- 200-270-1、621-124-7
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 135
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quaternary Amines
CosmeticsAntistatic
Physical Description
Dry Powder; Liquid
White crystals; [MSDSonline]
Physicochemical properties
- Melting point
- 190 · 190-192 °C (dec.) (lit.)
- Boiling point
- 366.11 °C · 366.11°C (rough estimate)
- Density
- 1.08 g/mL · 1.08 g/mL at 25 °C
- bulk density
- 700 kg/m3 · 700kg/m3
- refractive index
- 20 · n20/D 1.479
- Flash point
- 100 °C · >100°C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2 O: · H2O: 0.1 g/mL, clear
- form
- Liquid
- color
- White to beige
- PH Range
- 6 · 6 - 8
- PH
- 6 · 6-8 (100g/l, H2O, 20℃)
- Water Solubility
- 700 g/L · 700 g/L (20 ºC)
- Sensitive
- Hygroscopic
- Decomposition
- 185 °C · 185°C
- BRN
- 3574984 · 3574984
- Stability
- Stable. Incompatible with strong oxidizing agents.
- Cosmetics Ingredients Functions
- ANTISTATIC
- InChI
- 1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
- InChIKey
- HTZCNXWZYVXIMZ-UHFFFAOYSA-M
- SMILES
- [Cl-].CC[N+](CC)(CC)Cc1ccccc1
- CAS DataBase Reference
- 56 · 56-37-1(CAS DataBase Reference)
- FDA UNII
- 46 WDQ3ADML · 46WDQ3ADML
- EPA Substance Registry System
- Benzyltriethylammonium chloride (56-37-1)
- UNSPSC Code
- 12352107 · 12352107
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 26 · 26-36-37/39-26 37/39-36/37/39
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 8400000 · BO8400000
- F
- 3 · 3
- Autoignition Temperature
- 300 °C · 300 °C
- TSCA
- TSCA listed
- HS Code
- 29239000 · 29239000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 50 orally · LD50 orally in Rabbit: 2219 mg/kg
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (3 of 375) of reports.
Warning
H302 (82.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 375 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Chemical: Benzenemethanaminium, N,N,N-triethyl-, chloride (1:1)
Benzenemethanaminium, N,N,N-triethyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanaminium, N,N,N-triethyl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 06-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17283
Benzyltriethylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [MSDSonline] See Lauryl dimethyl benzyl ammonium chloride.
Hazard Classes and Categories
Acute Tox. 4 (82.7%)
Skin Irrit. 2 (100%)
Safety data
- F
- 3
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BO8400000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29239000
- Toxicity
- LD50 orally in Rabbit: 2219 mg/kg
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37/39-26 37/39-36/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Autoignition Temperature
- 300 °C
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 124,660 lb
Industry UsesOther
Use ClassificationCosmetics -> Antistatic
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzenemethanaminium, N,N,N-triethyl-, chloride (1:1): ACTIVE
Applications
DescriptionBenzyltrimethylammonium chloride is hygroscopic and soluble in water, ethanol, and butanol and slightly soluble in butyl phthalate and tributyl phosphate. It is widely used as a solvent for cellulose, a gelling inhibitor in polyester resins, a chemical intermediate, a paint dispersant, and an acrylic dyeing agent. It is also used in plant growth regulator compositions and synthetic processes.
UsesBenzyltriethylammonium chloride is used as a catalyst in the preparation of 2-phenylbutyronitrile from phenyl acetonitrile. It is involved in the Knoevenagel condensation of carbonyl compounds with active methylene compounds to give olefinic products. It acts as a phase transfer catalyst used in the alkylation reaction. It reacts with 1H-Pyridine-2-thione to get 2-Benzylsulfanyl-pyridine.
Preparation methods
PreparationBenzyltriethylammonium chloride synthesis: Add benzyl chloride, triethylamine and acetone into the reaction pot, and reflux at 63-64°C for 8 hours. Slowly lowered to 15°C, filtered, and the filter cake was washed with acetone and dried to obtain benzyltriethylammonium chloride. Yield 68.9%.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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