Basic information
- CAS
124-03-8- Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]- InChIKey
VUFOSBDICLTFMS-UHFFFAOYSA-M- Molecular formula
- C20H44N.Br
- Average molar mass
- 378.5 g/mol
Names & identifiers
- Preferred name
- Cetyldimethylethylammonium bromide
- IUPAC
- ethyl-hexadecyl-dimethylazanium bromide
- English name
- Cetyldimethylethylammonium bromide
- Molecular formula
- C20H44BrN
- Molecular weight
- 378.47
Names & synonyms
124-03-8Cetyldimethylethylammonium bromideBretolAmmonyx DMECetethyldimonium bromideEthyl cetabQuaternium-17Mecetronium bromideDimethylethylhexadecylammonium bromideCetylethyldimethylammonium bromideCetyl dimethyl ethyl ammonium bromideHexadecyldimethylethylammonium bromide
Show more names
CDABEHDABCEDABcetylcideEHDAB/CDABammonyxdmeethylcetabquaternium17Ethylhexadecyldimeth
7ZNQ7FIO9KEthyl hexadecyl dimethyl ammonium bromideSumquat 6020NSC-8494RefChem:124722204-672-8ETHYLHEXADECYLDIMETHYLAMMONIUM BROMIDEQuaternium 17
Database identifiers
- CAS
124-03-8- PubChem CID
- 31280
- DTXSID
DTXSID2041759- ChEMBL
CHEMBL1375045- UNII
- 7ZNQ7FIO9K
- EC Number
- 204-672-8
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quaternary Amines
CosmeticsEmulsifying; Antimicrobial; Surfactant; Antistatic
PesticidesBiocide
Solubility34.5 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionWhite solid; [Merck Index] White hygroscopic solid; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 190 °C · 190 °C
- Density
- 1.1003 · 1.1003 (rough estimate)
- refractive index
- 1.526 · 1.5260 (estimate)
- Flash point
- 93 °C · 93 °C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2 O: · H2O: 0.1 g/mL, clear, colorless
- form
- Powder
- color
- White
- Water Solubility
- 200 G/L · 200 G/L (20 ºC)
- Merck
- 14 · 14,2029
- BRN
- 3729134 · 3729134
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents. Protect from moisture.
- Cosmetics Ingredients Functions
- SURFACTANT - CLEANSINGSURFACTANT - EMULSIFYINGANTISTATICANTIMICROBIAL
- InChI
- 1S/C20H44N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;/h5-20H2,1-4H3;1H/q+1;/p-1
- InChIKey
- VUFOSBDICLTFMS-UHFFFAOYSA-M
- SMILES
- [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)CC
- LogP
- 2.33 · 2.330 (est)
- CAS DataBase Reference
- 124 · 124-03-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-2
- FDA UNII
- 7 ZNQ7FIO9K · 7ZNQ7FIO9K
- EPA Substance Registry System
- Cetyl dimethyl ethyl ammonium bromide (124-03-8)
- UNSPSC Code
- 12352107 · 12352107
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H410
- Precautionary statements
- 264 · P264-P270-P273-P301+P312-P302+P352-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/38-36/37/38-20/21/22
- Safety Statements
- 26 · 26-36-36/39
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- RTECS
- 5425000 · BQ5425000
- TSCA
- TSCA listed
- HS Code
- 29239000 · 29239000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
- Toxicity
- 50 orally · LD50 orally in Rabbit: 500 mg/kg
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Hexadecanaminium, N-ethyl-N,N-dimethyl-, bromide
Ethylhexadecyldimethylammonium bromide: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Mono- and di-alkyl quaternary ammonium surfactants: Environment tier II assessment
Hazards SummaryAn irritant; Harmful by ingestion; [Acros Organics MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (98%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BQ5425000
- ridadr
- 2811
- hs_code
- 29239000
- Toxicity
- LD50 orally in Rabbit: 500 mg/kg
- risk_code
- 22-36/38-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn
- safety_code
- 26-36-36/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H410
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P270-P273-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Uses
Used as a disinfectant and laboratory reagent; [Merck Index] No active disinfectant/germicide product registrations in the US; [NPIRS]
Using Disinfectants or Biocides [Category: Clean]
Use ClassificationCosmetics -> Emulsifying; Antimicrobial; Surfactant; Antistatic
General Manufacturing Information1-Hexadecanaminium, N-ethyl-N,N-dimethyl-, bromide (1:1): ACTIVE
Applications
UsesDisinfectant; laboratory reagent. Ethylhexadecyldimethylammonium bromide is a long chain ammonium surfactant.
UsesEthylhexadecyldimethylammonium bromide has been used in a study to assess variables affecting the foam separation of Escherichia coli.
General DescriptionEthylhexadecyldimethylammonium bromide is a surfactant.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
1 records
Compound notes
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