Basic information
- CAS
1120-02-1- Standard SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]- InChIKey
SZEMGTQCPRNXEG-UHFFFAOYSA-M- Molecular formula
- C21H46BrN
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 391.28136
Overview
The CIR Expert Panel concluded the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Steartrimonium Bromide...
Names & identifiers
- Preferred name
- Octadecyltrimethylammonium bromide
- IUPAC
- trimethyl(octadecyl)azanium bromide
- English name
- Octadecy trimethyl ammonium bromide
- Molecular formula
- C21H46BrN
- Molecular weight
- 392.5
Names & synonyms
1120-02-1Octadecyltrimethylammonium bromideSteartrimonium BromideCATINAL STBBPW1DD4IZ8ODTEA Br cpdDTXSID40883652RefChem:889163DTXCID701023159214-294-5Trimethyloctadecylammonium bromideOctMAB
Show more names
183B[M3C18N]BrFENTACARE 1831BEinecs 214-294-5Stearyl Trimethyl AmStearylTrimethylAmmoiumbStearyltrimethylaminium·bromide
N,N,N-Trimethyloctadecan-1-aminium bromideStearyltrimethylammonium BromideOctadecy trimethyl ammonium bromide1-Octadecanaminium, N,N,N-trimethyl-, bromideOTABTrimethyl-1-octylammonium bromidetrimethyl(octadecyl)azanium;bromideTrimethyloctadecylammonium (bromide)
Database identifiers
- CAS
1120-02-1- PubChem CID
- 70708
- DTXSID
DTXSID40883652- ChEMBL
CHEMBL109458- UNII
- BPW1DD4IZ8
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Cosmetics
Cosmetic ingredients (Steartrimonium Bromide) -> CIR (Cosmetic Ingredient Review)
Preservative; Antistatic; Hair conditioning
Physical DescriptionWhite hygroscopic powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 250 °C · ~250 °C (dec.) (lit.)
- Boiling point
- 543.31 ℃[at · 543.31℃[at 101 325 Pa]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Limited solubility
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- soluble
- BRN
- 3574090 · 3574090
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
Danger
H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Trimethyloctadecylammonium bromide (EC: 214-294-5)
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (13%)
Toxicology
Toxicity Summary
The CIR Expert Panel concluded the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Steartrimonium Bromide...
Safe for use in cosmetics, with qualifications
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3077 9 / PGIII
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Steartrimonium Bromide
Use ClassificationCosmetics -> Preservative; Antistatic; Hair conditioning
General Manufacturing Information1-Octadecanaminium, N,N,N-trimethyl-, bromide (1:1): ACTIVE
Applications
UsesA Dynamin I inhibitor.
UsesTrimethyloctadecylammonium bromide (C18TAB) is generally used as a surfactant. It can be used in the preparation of polyoxomolybdate-surfactant hybrid layered crystals. It can also be used as a surface modifier in the liquid chromatography.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州埃肯新材料有限公司15258847994 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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