1-butyl-3-methylimidazolium methylsulfate

Modify Date: 2025-08-25 20:08:11

1-butyl-3-methylimidazolium methylsulfate Structure
1-butyl-3-methylimidazolium methylsulfate structure
Common Name 1-butyl-3-methylimidazolium methylsulfate
CAS Number 401788-98-5 Molecular Weight 250.31500
Density 1.21 Boiling Point N/A
Molecular Formula C9H18N2O4S Melting Point -4°C(lit.)
MSDS Chinese USA Flash Point N/A
Symbol GHS05
GHS05
Signal Word Danger

 Names

Name 1-butyl-3-methylimidazol-3-ium,methyl sulfate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.21
Melting Point -4°C(lit.)
Molecular Formula C9H18N2O4S
Molecular Weight 250.31500
Exact Mass 250.09900
PSA 83.62000
LogP 1.28650
Appearance of Characters liquid | yellow
Index of Refraction n20/D 1.478
InChIKey MEMNKNZDROKJHP-UHFFFAOYSA-M
SMILES CCCCn1cc[n+](C)c1.COS(=O)(=O)[O-]
Stability hygroscopic

 MSDS


Section 1: Product Identification
Chemical Name:1-Butyl-3-methylimidazolium methanesulfonate, 98% [BMIM] [MeSO4]
CAS Registry Number:401788-98-5
Formula:C9H18N2O4S
EINECS Number:none
Chemical Family:organic amine salt
Synonym:3-Butyl-1-methyl-3H-imidazol-1-ium; methylsulfate

Section 2: Composition and Information on Ingredients
IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL)
Title Compound401788-98-5100%no datano data

Section 3: Hazards Identification
Emergency Overview:Irritating to eyes, skin and respiratory tract.
Primary Routes of Exposure:Ingestion, eyes, inhalation, skin contact
Eye Contact:Causes moderate to severe irritation of the eyes.
Skin Contact:Causes moderate to severe irritation of the skin
Causes irritation of the respiratory tract with burning pain in the nose and throat, coughing, and pulmonary
Inhalation:
edema.
Ingestion:May be harmful or poisonous if swallowed. Severe irritant to the gastrointestinal system
The methylsulfate fragment may act as a poisonous alkylating agent in the human body as does dimethyl
Acute Health Affects:
sulfate. Irritating to skin, eyes and respiratory tract.
Chronic Health Affects:No information available on the long-term chronic effects.
NTP:No
IARC:No
OSHA:No

SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
Flash Point:none
Autoignition Temperature:none
Explosion Limits:none
Extinguishing Medium:carbon dioxide, dry powder or foam
Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus
Special Fire Fighting Procedures:
and full protective clothing.
Hazardous Combustion andIf involved in a fire this material may emit toxic organic fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up.

SECTION 7: Handling and Storage
Handling and Storage:Store in a cool, dry place in a tightly sealed container.

SECTION 8: Exposure Controls and Personal Protection
Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection:Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove.
Ventilation:If possible, handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation:If possible, handle the material in an efficient fume hood.
Additional Protection:No additional protection required.

SECTION 9: Physical and Chemical Properties
Color and Form:yellow liquid
Molecular Weight:250.32
Melting Point:no data
Boiling Point:no data
Vapor Pressure:not applicable
Specific Gravity:no data
Odor:none
Solubility in Water:soluble

SECTION 10: Stability and Reactivity
Stability:hygroscopic
Hazardous Polymerization:no hazardous polymerization
Conditions to Avoid:contact with air and moisture
Incompatibility:strong oxidizing agents
Decomposition Products:carbon dioxide, carbon monoxide, nitrogen oxides, and organic fumes.

SECTION 11: Toxicological Information
RTECS Data:No information available in the RTECS files.
Carcinogenic Effects:no data
Mutagenic Effects:no data
Tetratogenic Effects:no data

SECTION 12: Ecological Information
Ecological Information:No information available

SECTION 13: Disposal Considerations
Disposal:Dispose of according to federal, state, and local regulations.

SECTION 14: Transportation
Shipping Name (CFR):Non-hazardous
Hazard Class (CFR):NA
Additional Hazard Class (CFR):NA
Packaging Group (CFR):NA
UN ID Number (CFR):NA
Shipping Name (IATA):Non-hazardous
Hazard Class (IATA):NA
Additional Hazard Class (IATA):NA
Packaging Group (IATA):NA
UN ID Number (IATA):NA

SECTION 15: Regulatory Information
TSCA:Not listed in the TSCA inventory.
SARA (Title 313):Title compound not listed.
Second Ingredient:none


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS05
GHS05
Signal Word Danger
Hazard Statements H314
Precautionary Statements P280-P305 + P351 + P338-P310
Personal Protective Equipment Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes C
Risk Phrases R34
Safety Phrases 26-36-45
RIDADR UN 3265 8/PG 2
WGK Germany 3
Packaging Group II
HS Code 2933290090

 Synthetic Route

~77%

1-butyl-3-methylimidazolium methylsulfate Structure

1-butyl-3-methy...

CAS#:401788-98-5

Literature: Pereiro, Ana B.; Verdia, Pedro; Tojo, Emilia; Rodriguez, Ana Journal of Chemical and Engineering Data, 2007 , vol. 52, # 2 p. 377 - 380

~%

1-butyl-3-methylimidazolium methylsulfate Structure

1-butyl-3-methy...

CAS#:401788-98-5

Literature: Solvent Innovation GmbH Patent: EP1182196 A1, 2002 ; Location in patent: Page 11 ;

~%

1-butyl-3-methylimidazolium methylsulfate Structure

1-butyl-3-methy...

CAS#:401788-98-5

Literature: Itoh, Toshiyuki; Ouchi, Nozomi; Hayase, Shuichi; Nishimura, Yoshihito Chemistry Letters, 2003 , vol. 32, # 7 p. 654 - 655

~98%

1-butyl-3-methylimidazolium methylsulfate Structure

1-butyl-3-methy...

CAS#:401788-98-5

Literature: MERCK PATENT GMBH Patent: WO2006/63654 A1, 2006 ; Location in patent: Page/Page column 19-20 ;

~97%

1-butyl-3-methylimidazolium methylsulfate Structure

1-butyl-3-methy...

CAS#:401788-98-5

Literature: MERCK PATENT GMBH Patent: WO2006/63654 A1, 2006 ; Location in patent: Page/Page column 29 ;

 Customs

HS Code 2933290090
Summary 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

MFCD03095437
1-butyl-3-methyl-3H-imidazolium methyl sulfate
[Emim][MeSO4]
[BMIM][MeSO4]
[C4C1im][MeSO4]
Basionics(R) LQ02
1-Butyl-3-methylimidazolium methyl sulfate
[BMIM][MeOSO3]
1-n-Butyl-3-methylimidazolium methyl sulfate
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