1-Ethyl-3-methylimidazolium Acetate

• CAS: 143314-17-4
• Catalog Number: ACM143314174
• Category: Imidazolium Ionic Liquids
• Molecular Weight: 170.21
• Molecular Formula: C8H14N2O2
• Synonyms: EMIMAc
• IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;acetate
• Canonical SMILES: CCN1C=C[N+](=C1)C.CC(=O)[O-]
• InChI: 1S/C6H11N2.C2H4O2/c1-3-8-5-4-7(2)6-8;1-2(3)4/h4-6H,3H2,1-2H3;1H3,(H,3,4)/q+1;/p-1
• InChI Key: XIYUIMLQTKODPS-UHFFFAOYSA-M
• Melting Point: 62 °C
• Flash Point: 327.2 °F
• Density: 1.027 g/cm3 at 25 ℃
• Appearance: Light yellow to Amber to Dark green clear liquid to cloudy liquid
• Application: CAS: 143314-17-4, MF: C8H14N2O2, MW: 170.21
• Storage: Store under inert gas, 2-8°C
• Abbreviation: EMIMAc
• Chemical Formula: [EMIm] Ac
• Complexity: 98.4
• Covalently-Bonded Unit Count: 2
• EC Number: 604-344-8
• Exact Mass: 170.105528g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 12
• MDL Number: MFCD06798186
• Monoisotopic Mass: 170.105528g/mol
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Refractive Index: n20/D 1.501
• Rotatable Bond Count: 1
• Signal Word: Warning
• Specific Gravity: 1.10
• Viscosity: 93.0 cP

Custom Q&A

What is the molecular formula of 1,4-Bis(2-hydroperoxypropan-2-yl)benzene?

The molecular formula is C12H18O4.

What is the molecular weight of the compound?

The molecular weight is 226.27 g/mol.

What are some synonyms of 1,4-Bis(2-hydroperoxypropan-2-yl)benzene?

Some synonyms include p-Bis(hydroperoxyisopropyl)benzene and Percumyl P.

When was the compound first created?

It was created on August 9, 2005.

What is the InChIKey of 1,4-Bis(2-hydroperoxypropan-2-yl)benzene?

The InChIKey is REGMWDPZVFOJLY-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 58.9 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the formal charge of 1,4-Bis(2-hydroperoxypropan-2-yl)benzene?

The formal charge is 0.

How many defined atom stereocenters does the compound have?

The compound has 0 defined atom stereocenters.

Synthetic Use

Upstream Synthesis Route 1

• 64-19-7

• 143314-17-4

Reference: [1]Patent: WO2005/85207,2005,A2 .Location in patent: Page/Page column 18

Downstream Synthesis Route 1

• 78-76-2
• 143314-17-4

• 105-46-4
• 65039-08-9

Reference: [1] Patent: EP2532646, 2012, A1, . Location in patent: Page/Page column 5-7

Downstream Synthesis Route 2

• 143314-17-4
• 74-95-3

• 628-51-3
• 65039-08-9

Reference: [1] Patent: EP2532646, 2012, A1, . Location in patent: Page/Page column 5-7

Downstream Synthesis Route 3

• 143314-17-4
• 106-93-4

• 111-55-7
• 65039-08-9

Reference: [1] Patent: EP2532646, 2012, A1, . Location in patent: Page/Page column 5-7

* For details of the synthesis route, please refer to the original source to ensure accuracy.