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Basic Information
CAS No.: 2494-56-6
Name: BUTYRYLCHOLINE IODIDE
Molecular Structure:
Molecular Structure of 2494-56-6 (BUTYRYLCHOLINE IODIDE)
Formula: C9H20 N O2 . I
Molecular Weight: 301.168
Synonyms: Choline, iodide,butyrate (6CI,7CI,8CI); Ethanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)-, iodide (9CI);Butyric acid, ester with choline iodide (8CI); Butyrocholine iodide;Butyrylcholine iodide
Density: g/cm3
Melting Point: 85-89 °C
Boiling Point: °Cat760mmHg
Flash Point: °C
Solubility: almost transparency
Hazard Symbols:
Risk Codes: 36/37/38
Safety: Poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx.
PSA: 26.30000
LogP: -1.96010
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Chemistry

IUPAC Name:  2-Butanoyloxyethyl(trimethyl)azanium iodide
Synonyms of Butyrylcholine iodide (CAS NO.2494-56-6): Ammonium, (2-butyryloxyethyl)trimethyl-, iodide ; Butyrocholine iodide ; Choline, iodide, butyrate ; EINECS 219-666-0 ; Ethanaminium, n,n,n-trimethyl-2-(1-oxobutoxy)-, iodide ; NSC 97539 ; 2-Butyryloxyethyltrimethylammonium iodide ; Ethanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)-, iodide (1:1)
CAS NO: 2494-56-6     
Molecular Formula of Butyrylcholine iodide (CAS NO.2494-56-6): C9H20INO2 
Molecular Weight: 301.1651  
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 26.3 Å2
Molecular Structure:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01428,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements of Butyrylcholine iodide (CAS NO.2494-56-6): 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: BP0475000
F: 3-8-10-23
Poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx.