Caprylyltrimethylammonium chloride

HCID 24949CAS 10108-86-8

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCCCC[N+](C)(C)C.[Cl-]
InChIKey: AQZSPJRLCJSOED-UHFFFAOYSA-M
Molecular formula: C11H26ClN
Average molar mass: 207.78 g/mol
Monoisotopic mass: 207.17537751

Names & identifiers

Preferred name: Caprylyltrimethylammonium chloride
IUPAC: trimethyl(octyl)azanium chloride
English name: Octyltrimethylammonium chloride
Molecular formula: C11H26ClN
Molecular weight: 207.79

Names & synonyms

10108-86-8Octyltrimethylammonium chlorideCaprylyltrimethylammonium chloride1-Octanaminium, N,N,N-trimethyl-, chlorideCATIOGEN 08VU3D41H988N,N,N-TRIMETHYL-1-OCTANAMINIUM CHLORIDEQTA 8111RefChem:917990n-Octyltrimethylammonium ChlorideTrimethyloctylammonium chlorideN,N,N-Trimethyloctan-1-aminium chloride

Show more names

TOACLOTMACl[M3C8N]ClCH3(CH2)7N(CH3)3(Cl)TriMethyloctylaMMoniuM chloridTriMethyOctylAmmonium ChlorideOCLyltriMethylaMMoniuM Chloride

trimethyl(octyl)azanium;chloride1-Octanaminium, N,N,N-trimethyl-, chloride (1:1)DTXSID90905939MFCD00059977AKOS024437442HY-W014536AS-67707UNII-VU3D41H988

Database identifiers

CAS: 10108-86-8
PubChem CID: 24949
DTXSID: DTXSID90905939
UNII: VU3D41H988
EC Number: 627-224-7

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 13
Formal charge: 0
Complexity: 91.7

Physicochemical properties

storage temp.: 2 · Storage temp. 2-8°C
form: powder to crystal
color: White to Almost white
Water Solubility: almost transparency
BRN: 4005082 · 4005082
InChI: 1S/C11H26N.ClH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1
InChIKey: AQZSPJRLCJSOED-UHFFFAOYSA-M
SMILES: [Cl-].CCCCCCCC[N+](C)(C)C
CAS DataBase Reference: 10108 · 10108-86-8(CAS DataBase Reference)
FDA UNII: 3 D41H988 · VU3D41H988
EPA Substance Registry System: Trimethyloctylammonium chloride (10108-86-8)
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-36-37/39
WGK Germany: 3 · 3
HS Code: 29239000 · 29239000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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 40 reports by companies from 3 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
hs_code: 29239000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-36-37/39
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 chloride (TOMAC) is a cationic surfactant that can be used: To separate SiC from ground SiO2 by flotation method. To prepare porous organosilicates using 1,2-bis(trimethoxysilyl)ethane as a silica precursor.