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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 17232Generated: October 23, 2026

Butyrylcholine iodide

. · Butyrylcholine iodine · BUTYRYLCHOLINE IODIDE · N-BUTYRYLCHOLINE IODIDE · Butyrylcholine Iodide >Butyrylcholine Iodide, ≥ 99.0% · 2-butyryloxyethyltrimethylammonium iodide · (2-butyryloxyethyl)trimethyl-ammoniuiodide · 2-butanoyloxyethyl(trimethyl)azanium,iodide

https://huagongshe.com/en/chemical/17232

Butyrylcholine iodide molecular structure

Identifiers & Physical Properties

CAS No.2494-56-6
Molecular formulaC9H20INO2
Average molar mass301.17 g/mol
Monoisotopic mass301.05387688 g/mol
SMILESCCCC(=O)OCC[N+](C)(C)C.[I-]
InChIKeyGALNBQVDMJRFGJ-UHFFFAOYSA-M
PubChem CID17232
ChEMBLCHEMBL147380
EC No.219-666-0
DTXSIDDTXSID60883856

Chemical & Physical Properties

Topological polar surface area26.3
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds6
Heavy atoms13
Formal charge0
Complexity138
Melting point85-89 °C
Storage conditions2-8°C
Solubilitymethanol: 1g/10 mL, clear, colorlessalmost transparency
Physical statepowder to crystal
ColorWhite to Orange to Green
BRN3917649
InChI1S/C9H20NO2.HI/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H31H/q+1/p-1
InChIKeyGALNBQVDMJRFGJ-UHFFFAOYSA-M
SMILES[I-].CCCC(=O)OCC[N+](C)(C)C
CAS DataBase Reference2494-56-6(CAS DataBase Reference)
FDA UNIIKX2MFG93T5
EPA Substance Registry SystemEthanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)-, iodide (2494-56-6)
UNSPSC Code12352204
NACRESNA.83
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH315-H319-H335
GHS precautionary statementsP261-P264-P271-P280-P302+P352-P305+P351+P338
Target organsRespiratory system
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Hazard symbolsXi
Risk statements (R)36/37/38
Safety statements (S)26-36
Water hazard class (WGK)3
RTECS numberBP0475000
F3-8-10-23
TSCA inventory statusTSCA listed
Customs code2923.90.0100
Storage class11 - Combustible Solids
Hazard classEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & Regulations

GHS classificationWarningH315 (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 Classes and CategoriesSkin Irrit. 2 (100%)
F3-8-10-23
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK)3
TSCA inventory statusTSCA listed
RTECS numberBP0475000
Customs code2923.90.0100
Risk statements (R)36/37/38
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXi
Safety statements (S)26-36
Storage class11 - Combustible Solids
Target organsRespiratory system
GHS hazard statementsH315-H319-H335
Hazard classEye Irrit. 2Skin Irrit. 2STOT SE 3
GHS precautionary statementsP261-P264-P271-P280-P302+P352-P305+P351+P338

Applications & Uses

Uses

Butyrylcholine Iodide is used in preparation of PEDOT:PSS materials for quantum dot light-emitting diodes.