1-BUTYL-3-METHYLIMIDAZOLIUM OCTYLSULFATE CAS#: 445473-58-5; ChemWhat Code: 69815

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name1-BUTYL-3-METHYLIMIDAZOLIUM OCTYLSULFATE
IUPAC Name1-butyl-3-methylimidazol-3-ium;octyl sulfate
Molecular Structure1-BUTYL-3-METHYLIMIDAZOLIUM-OCTYLSULFATE-CAS-445473-58-5
CAS Registry Number 445473-58-5
MDL NumberMFCD03788914
Synonyms1-Butyl-3-methyl-1H-imidazol-3-ium octyl sulfate [ACD/IUPAC Name];1-Butyl-3-methyl-1H-imidazol-3-iumoctylsulfat [German] [ACD/IUPAC Name];1-Butyl-3-methylimidazolium octyl sulfate;Sulfate de 1-butyl-3-méthyl-1H-imidazol-3-ium et d’octyle [French] [ACD/IUPAC Name];1-butyl-3-methylimidazol-3-ium;octyl sulfate;1-BUTYL-3-METHYLIMIDAZOLIUM;N-OCTYL SULFATE;1-butyl-3-methylimidazolium octylsulfate;1-butyl-3-methyl-imidazolium octylsulfate;1-BUTYL-3-METHYLIMIDAZOLIUM OCTYLSULFATE 98% [BMLM] [OCSO4] £ BEIGE SOLID;1-BUTYL-3-METHYLIMIDAZOLIUMOCTYLSULFATE;1-n-Butyl-3-methylimidazolium octylsulfate;445473-58-5 [RN];BMIM OSU;ECOENG 418;ECOENGn 15/D 418;MFCD03788914 [MDL number]
Molecular FormulaC16H32N2O4S
Molecular Weight348.5
InChIInChI=1S/C8H15N2.C8H18O4S/c1-3-4-5-10-7-6-9(2)8-10;1-2-3-4-5-6-7-8-12-13(9,10)11/h6-8H,3-5H2,1-2H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1
InChI KeyKIDIBVPFLKLKAH-UHFFFAOYSA-M
Canonical SMILESCCCCCCCCOS(=O)(=O)[O-].CCCCN1C=C[N+](=C1)C
Patent Information
No data available

Physical Data

AppearanceColorless or yellow liquid
Melting Point37°C
Density1.07 g/cm3 at 20°C (68°F)
StabilityHygroscopic

Spectra

Description (IR Spectroscopy)Comment (IR Spectroscopy)
Spectrum
1-BUTYL-3-METHYLIMIDAZOLIUM OCTYLSULFATE CAS#: 445473-58-5 IRIR of 1-BUTYL-3-METHYLIMIDAZOLIUM OCTYLSULFATE CAS 445473-58-5
1-BUTYL-3-METHYLIMIDAZOLIUM OCTYLSULFATE CAS#: 445473-58-5 RamanRaman of 1-BUTYL-3-METHYLIMIDAZOLIUM OCTYLSULFATE CAS 445473-58-5

Route of Synthesis (ROS)

No data available

Safety and Hazards

Pictogram(s)exclamation-mark
SignalWarning
GHS Hazard StatementsH315: Causes skin irritation [Warning Skin corrosion/irritation]
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Information may vary between notifications depending on impurities, additives, and other factors. 
Precautionary Statement CodesP261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)
For more detailed information, please visit ECHA C&L website

Other Data

TransportationNot dangerous goods
Under the room temperature and away from light
HS Code294200
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD 190/kg
Use Pattern
1-Butyl-3-methylimidazolium octyl sulfate can be used as a solvent during the hydroformylation of 1-octene to form nonanals in the presence of a rhodium catalyst.
1-Butyl-3-methylimidazolium octyl sulfate is a halogen-free ionic liquid. It behaves as a surfactant when the critical micelle concentration (CMC) is above 0.031M.

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Ulcho Biochemical Ltdhttps://www.ulcho.com/
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