CAS 733-44-8 Tetraethylammonium p-toluenesulphonate (HCID 101846)

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Basic information

CAS: 733-44-8
Standard SMILES: CC[N+](CC)(CC)CC.Cc1ccc(S(=O)(=O)[O-])cc1
InChIKey: QKFFSWPNFCXGIQ-UHFFFAOYSA-M
Molecular formula: C15H27NO3S
Average molar mass: 301.4 g/mol

Names & identifiers

Preferred name: Tetraethylammonium p-toluenesulphonate
IUPAC: 4-methylbenzenesulfonate;tetraethylazanium
English name: Tetraethylammonium p-toluenesulfonate
Molecular formula: C15H27NO3S
Molecular weight: 301.44

Names & synonyms

Tetraethylammonium p-toluenesulfonate733-44-8Tetraethylammonium p-toluenesulphonateEthanaminium, N,N,N-triethyl-, salt with 4-methylbenzenesulfonic acid (1:1)EINECS 211-992-1DTXSID2061062Ethanaminium, N,N,N-triethyl-, 4-methylbenzenesulfonate (1:1)RefChem:897002DTXCID2047517211-992-1Tetraethylammonium 4-methylbenzenesulfonate4-methylbenzenesulfonate;tetraethylazanium

Show more names

SKL1499SKL1631N2,2,2,2 TS[N2,2,2,2] TsOTetraethylammonium p<tetraethylammoniumtoluenesulfonateN,N,N-Triethylethanaminium·tosylateTetraethylaminium·4-toluenesulfonateTetraethylammonium 4-toluenesulfonate

MFCD00011831Et4NOTstetraethylammonium tosylateKX8X87A2DQSCHEMBL160282C15H27NO3Sorb2939247TEA 4-methylbenzene-1-sulfonate

Database identifiers

CAS

Properties

Computed structural properties

Topological polar surface area: 65.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 240

Physicochemical properties

Melting point: 110 · 110-114 °C(lit.)
Density: 0.48 · 0.480
bulk density: 0.48 g/cm3 · 0.480g/cm3
refractive index: 1.6 · 1.6000 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: 0.1 g/mL, · acetonitrile: 0.1 g/mL, clear, colorless
form: powder to crystal
color: White to Almost white
Sensitive: Hygroscopic
BRN: 4303354 · 4303354
InChI: 1S/C8H20N.C7H8O3S/c1-5-9(6-2,7-3)8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey: QKFFSWPNFCXGIQ-UHFFFAOYSA-M
SMILES: CC[N+](CC)(CC)CC.Cc1ccc(cc1)S([O-])(=O)=O
CAS DataBase Reference: 733 · 733-44-8(CAS DataBase Reference)
EPA Substance Registry System: 4 · Ethanaminium, N,N,N-triethyl-, salt with 4-methylbenzenesulfonic acid (1:1) (733-44-8)

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 46 reports by companies from 6 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

F: 3-10
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29239000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
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

Uses & manufacturing

General Manufacturing InformationEthanaminium, N,N,N-triethyl-, 4-methylbenzenesulfonate (1:1): ACTIVE

Applications

UsesTetraethylammonium p-toluenesulfonate is used as a supporting electrolyte:In the electrochemical polymerization of aniline.In the synthesis of dihydro- and tetrahydropyridine dicarboxylic acid derivatives.