Octyltrimethylammonium bromide
Basic information
- CAS
2083-68-3- Standard SMILES
CCCCCCCC[N+](C)(C)C.[Br-]- InChIKey
XCOHAFVJQZPUKF-UHFFFAOYSA-M- Molecular formula
- C11H26BrN
- Average molar mass
- 252.23 g/mol
- Monoisotopic mass
- 251.12486
Overview
Octyltrimethylammonium bromide is a quarternary ammonium salt whose basic unit comprises an octyltrimethylammonium cation and a bromide anion. It is a bromide salt and a quaternary ammonium salt. It contains an octyltrimethylammonium ion.
Names & identifiers
- Preferred name
- Octyltrimethylammonium bromide
- IUPAC
- trimethyl(octyl)azanium bromide
- English name
- N-Octyltrimethylammonium bromide
- Molecular formula
- C11H26BrN
- Molecular weight
- 252.23
Names & synonyms
2083-68-3n-Octyltrimethylammonium bromideOctyltrimethylammonium bromideOctaloneN,N,N-Trimethyl-1-octanaminium bromideCHEBI:346954RefChem:167925Trimethyloctylammonium bromideN,N,N-trimethyloctan-1-aminium bromidetrimethyl(octyl)azanium;bromide1-Octanaminium, N,N,N-trimethyl-, bromide1-Octanaminium, N,N,N-trimethyl-, bromide (1:1)
Show more names
OTABSKL302[M3C8N]Brtrimethyl(octyl)azaniumTriMethyOctylAmmonium BromideOctyltrimethylaminium·bromideOCETLTRIMETHYLAMMONIUMBROMIDEtrimethyloctyl-ammoniubromide
Trimethyloctylammonium bromide (6CI,7CI)MFCD00051873trimethyloctylamine, bromideTrimethyloctylammonium bromide,Ammonium, trimethyloctyl-, bromiden-octyl-n,n,n-trimethylammonium bromideC11H26BrNSCHEMBL121066
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 91.7
Physicochemical properties
- Melting point
- 220 · 220-222°C
- Boiling point
- 114 °C · 114 °C(Press: 5 Torr)
- storage temp.
- Inert atmosphere,Room Temperature
- Water Solubility
- Soluble in water
- form
- powder to lump
- color
- White to Almost white
- Sensitive
- Hygroscopic
- BRN
- 3628448 · 3628448
- InChI
- 1S/C11H26N.BrH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1
- InChIKey
- XCOHAFVJQZPUKF-UHFFFAOYSA-M
- SMILES
- [Br-].CCCCCCCC[N+](C)(C)C
- CAS DataBase Reference
- 2083 · 2083-68-3(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1-Octanaminium, N,N,N-trimethyl-, bromide (2083-68-3)
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- RG8275000
- hs_code
- 29239000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesTrimethyloctylammonium bromide (TOAB) is used as a surfactant and phase transfer catalyst in various chemical reactions. TOAB can be used in the synthesis of nanomaterials due to its ability to selectively transfer ions across interfaces and as a surfactant in the production of emulsions and foams. It is valued for its amphiphilic properties, which allow it to interact with water and oils, stabilizing and dispersing mixtures.
Additional notes
DefinitionChEBI: A quarternary ammonium salt whose basic unit comprises an octyltrimethylammonium cation and a bromide anion.
Related reactions
1 records
Compound notes
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