Octyltrimethylammonium bromide
IUPAC: trimethyl(octyl)azanium bromide
Plain text
Chemfused. (2026). Octyltrimethylammonium bromide, CAS 2083-68-3. Retrieved 2026-04-29 from https://chemfused.com/cas/2083-68-3
BibTeX
@misc{chemfused-cas-2083683,
title = {Octyltrimethylammonium bromide, CAS 2083-68-3},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/cas/2083-68-3},
urldate = {2026-04-29}
}
Octyltrimethylammonium bromide (CAS 2083-68-3) is a chemical compound with molecular formula C11H26BrN and molecular weight 252.23 g/mol . GHS signal word: Warning. Hazard classifications: Health Hazard.
What is Octyltrimethylammonium bromide?
- Molecular Formula
- C11H26BrN
- Molecular Weight
- 252.23 g/mol
Description
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.
Structure Identifiers
- SMILES
- CCCCCCCC[N+](C)(C)C.[Br-]
- InChI
- 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
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 251.1249 Da
- TPSA
- 0.0 Ų
- H-Bond Donors
- 0
- H-Bond Acceptors
- 1
- Complexity
- 92
- Formal Charge
- 0
Safety information
Signal Word
GHS Pictograms
GHS07
Hazard Statements
- H315 Causes skin irritation
Precautionary Statements
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray
- P264 Wash thoroughly after handling
- P271 Use only outdoors or in a well-ventilated area
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P302+P352 IF ON SKIN: Wash with soap and water
- P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
- P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
- P321 Specific treatment (see supplemental first aid instructions on this label)
- P403+P233 Store in a well-ventilated place. Keep container tightly closed
- P405 Store locked up
- P501 Dispose of contents/container to an approved waste disposal plant
Synonyms (41)
- O0163
- D82026
- F463594
- BS-16558
- NSC97247
- Octalone
- SY074088
- 2083-68-3
- C11H26BrN
- DB-255818
- NSC 97247
- NSC-97247
- Q27225732
- SBB060103
- TYD-01387
- CS-0152284
- HY-W099642
- orb2939216
- ST51046343
- CHEBI:346954
- CHEMBL149390
- MFCD00051873
- AKOS015833041
- SCHEMBL121066
- DTXSID70943071
- RefChem:167925
- trimethyloctylamine, bromide
- Octyltrimethylammonium bromide
- Trimethyloctylammonium bromide
- trimethyl(octyl)azanium;bromide
- Trimethyloctylammonium bromide,
- n-Octyltrimethylammonium bromide
- trimethyl(octyl)ammonium;bromide
- Trimethyl-n-octylammonium Bromide
- Ammonium, trimethyloctyl-, bromide
- N,N,N-Trimethyl-1-octanaminium bromide
- N,N,N-trimethyloctan-1-aminium bromide
- n-octyl-n,n,n-trimethylammonium bromide
- 1-Octanaminium, N,N,N-trimethyl-, bromide
- Trimethyloctylammonium bromide, >=98.0% (AT)
- 1-Octanaminium, N,N,N-trimethyl-, bromide (1:1)
Frequently asked questions
What is the CAS number of Octyltrimethylammonium bromide?
The CAS Registry Number for Octyltrimethylammonium bromide is 2083-68-3.
What is the IUPAC name of Octyltrimethylammonium bromide?
The IUPAC name of Octyltrimethylammonium bromide is trimethyl(octyl)azanium bromide.
What is the molecular formula of Octyltrimethylammonium bromide?
Octyltrimethylammonium bromide has the molecular formula C11H26BrN and a molecular weight of 252.23 g/mol.
What is the SMILES notation for Octyltrimethylammonium bromide?
The SMILES notation for Octyltrimethylammonium bromide is CCCCCCCC[N+](C)(C)C.[Br-].
Is Octyltrimethylammonium bromide hazardous?
Octyltrimethylammonium bromide carries the following GHS hazard classifications: Health Hazard. Signal word: Warning.
What are other names for Octyltrimethylammonium bromide?
Octyltrimethylammonium bromide is also known as 1-Octanaminium, N,N,N-trimethyl-, bromide, 1-Octanaminium, N,N,N-trimethyl-, bromide (1:1), 2083-68-3, AKOS015833041, Ammonium, trimethyloctyl-, bromide.
Data sourced from PubChem CID 74964. Last updated .
Request a Quote
Submit an enquiry for CAS 2083-68-3 and we'll connect you with suppliers.