HuagongsheHuagongshe Chemistry Print Report · For research reference only
Octadecyltrimethylammonium bromide
OCTADECYLTRIMETHYLAMMONIUM BROMIDE · 183B · OctMAB · [M3C18N]Br · FENTACARE 1831B · Einecs 214-294-5 · Stearyl Trimethyl Am · Steartrimonium bromide
Identifiers & Physical Properties
| CAS No. | 1120-02-1 |
|---|---|
| Molecular formula | C21H46BrN |
| Average molar mass | 392.5 g/mol |
| Monoisotopic mass | 391.28136 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-] |
| InChIKey | SZEMGTQCPRNXEG-UHFFFAOYSA-M |
| PubChem CID | 70708 |
| ChEMBL | CHEMBL109458 |
| EC No. | 214-294-5 |
| DTXSID | DTXSID40883652 |
Chemical & Physical Properties
| Topological polar surface area | 0 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 17 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 204 |
| Chemical classes | Nitrogen Compounds -> Quaternary Amines |
| Cosmetics | Cosmetic ingredients (Steartrimonium Bromide) -> CIR (Cosmetic Ingredient Review)PreservativeAntistaticHair conditioning |
| Physical Description | White hygroscopic powder[Sigma-Aldrich MSDS] |
| Melting point | ~250 °C (dec.) (lit.) |
| Boiling point | 543.31℃[at 101 325 Pa] |
| Vapor pressure | 0Pa at 25℃ |
| Storage conditions | Inert atmosphere,Room Temperature |
| Solubility | Limited solubilitysoluble |
| Physical state | powder to crystal |
| Color | White to Almost white |
| BRN | 3574090 |
| Stability | Stable. Hygroscopic. Incompatible with strong oxidizing agents. Protect from moisture. |
| Cosmetics Ingredients Functions | HAIR CONDITIONINGPRESERVATIVEANTISTATIC |
| InChI | InChI=1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-21H2,1-4H31H/q+1/p-1 |
| InChIKey | SZEMGTQCPRNXEG-UHFFFAOYSA-M |
| SMILES | C(CC[N+](C)(C)C)CCCCCCCCCCCCCCC.[Br-] |
| LogP (partition coefficient) | 3.06 at 25℃ |
| CAS DataBase Reference | 1120-02-1(CAS DataBase Reference) |
| EWG's Food Scores | 4 |
| FDA UNII | BPW1DD4IZ8 |
| EPA Substance Registry System | Trimethyl-1-octylammonium bromide (1120-02-1) |
| UNSPSC Code | 12352116 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07,GHS09 |
| Signal word | Danger |
| GHS hazard statements | H302-H315-H317-H318-H410 |
| GHS precautionary statements | P261-P264-P273-P280-P305+P351+P338+P310-P391 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| UN transport number | UN 3077 9 / PGIII |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29239000 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2Skin Sens. 1 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | DangerH302 (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. |
|---|---|
| Regulatory information | REACH registered substance: Trimethyloctadecylammonium bromide (EC: 214-294-5) |
| Hazards summary | A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (13%) |
| 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 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 3077 9 / PGIII |
| Customs code | 29239000 |
| Risk statements (R) | 36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07,GHS09 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Storage class | 11 - Combustible Solids |
Applications & Uses
Uses
A Dynamin I inhibitor.
Uses
Trimethyloctadecylammonium 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.