Ethylene carbonate

• CAS: 96-49-1
• Catalog Number: ACM96491
• Category: Renewable & Alternative Energy
• Molecular Weight: 88.06
• Molecular Formula: C3H4O3
• Description: Ethylene carbonate is the organic compound with the formula (CH₂O)2CO. It is classified as the carbonate ester of ethylene glycol and carbonic acid. At room temperature (25°C) ethylene carbonate is a transparent crystalline solid, practically odorless and colorless, and somewhat soluble in water. In the liquid state (m.p.34-37°C) it is a colorless odorless liquid.
• Synonyms: ETHYLENE CARBONATE FOR SYNTHESIS;GLYCOL CARBONATE;ETHYLENCARBONAT;1,3-Dioxolan-2-one;ETHYLENE CARBONATE/1,3-DIOXOLAN-2-ONE
• IUPAC Name: 1,3-dioxolan-2-one
• Canonical SMILES: C1COC(=O)O1
• InChI: 1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2
• InChI Key: KMTRUDSVKNLOMY-UHFFFAOYSA-N
• Boiling Point: 244℃
• Melting Point: 34-37ºC
• Flash Point: 150ºC
• Density: 1.321
• Solubility: 11.36 M;Soluble in water, alcohol, ether, and benzene;Miscible (40%) with water, alcohol, ethyl acetate, benzene, and chloroform; soluble in ether, n-butanol, and carbon tetrachloride.;Insoluble in gasoline and turpentine oil.
• Appearance: Colourless crystals
• Storage: Store under inert gas
• Color/Form: Monoclinic plates;Colorless solid or liquid;Solid at room temperature.;Colorless liquid or crystalline solid.
• Complexity: 60.4
• Condition To Avoid: Moisture Sensitive
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomposition it emits acrid smoke and irritating fumes.
• EC Number: 202-510-0
• Exact Mass: 88.016044g/mol
• Formal Charge: 0
• Hazard Codes: Xi
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 6
• HS Code: 2920909090
• LogP: 0.15320
• MDL Number: MFCD00005382
• Monoisotopic Mass: 88.016044g/mol
• NSC Number: 16568;11801
• Odor: Odorless
• Other Experimental: Hydrolysis of ethylene carbonate yields pure ethylene glycol.;It has a high solvency for polyacrylonitrile, polyamides, glycol terephthalates, and poly(vinyl chloride).;Stable under normal storage conditions. It shows little change in freezing point, nor is the "water white" color deepened when stored at 40 °C for 2 months, even in the presence of traces of acid or alkali. The dry ester is slowly decomposed at 200-250 °C. It hydrolyzes rapidly above 125 °C in the presence of alkalies and more slowly in the presence of strong acids. Pure ethylene carbonate is stable in the presence of water at 100 °C. Salts such as sodium chloride accelerate hydrolysis. Alkalies and strong acids cause rapid hydrolysis.
• Physical State: Liquid or solid
• 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.
• PSA: 35.53
• Refractive Index: 1.4148 (50ºC)
• Rotatable Bond Count: 0
• Signal Word: Warning
• Solubility In Water: almost transparency
• Specific Gravity: 1.21
• Stability: Stable. Incompatible with strong oxidizing agents, acids, bases, reducing agents.
• Storage Conditions: Store in a cool, dry place. Store in a tightly closed container.
• UNII: RGJ96TB7R7
• Vapor Density: 3.04
• Vapor Pressure: 0.02 mm Hg ( 36.4 °C)
• WGK Germany: 1
• XLogP3: 0.3

Custom Q&A

What is the molecular formula of ethylene carbonate?

The molecular formula of ethylene carbonate is C3H4O3.

What is the molecular weight of ethylene carbonate?

The molecular weight of ethylene carbonate is 88.06 g/mol.

What is the IUPAC name of ethylene carbonate?

The IUPAC name of ethylene carbonate is 1,3-dioxolan-2-one.

What is the structure of ethylene carbonate?

The structure of ethylene carbonate is C1COC(=O)O1.

How many hydrogen bond donor counts does ethylene carbonate have?

Ethylene carbonate has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does ethylene carbonate have?

Ethylene carbonate has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of ethylene carbonate?

The topological polar surface area of ethylene carbonate is 35.5 Ų.

What is the formal charge of ethylene carbonate?

The formal charge of ethylene carbonate is 0.

How many defined atom stereocenter counts does ethylene carbonate have?

Ethylene carbonate has 0 defined atom stereocenter counts.

What are some synonyms for ethylene carbonate?

Some synonyms for ethylene carbonate are 1,3-dioxolan-2-one, Glycol carbonate, and Ethylene glycol carbonate.

Synthetic Use

Downstream Synthesis Route 1

• 96-49-1

• 872-36-6

Reference: [1] Chemische Berichte, 1992, vol. 125, # 2, p. 473 - 478

Downstream Synthesis Route 2

• 96-49-1

• 80-73-9

Reference: [1] Patent: US5783706, 1998, A,

Downstream Synthesis Route 3

• 96-49-1
• 124-68-5

• 26654-39-7

Reference: [1] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 7, p. 2190 - 2196

Downstream Synthesis Route 4

• 96-49-1
• 123-56-8

• 18190-44-8

Reference: [1]Patent: WO2017/108960,2017,A1 .Location in patent: Page/Page column 41; 42; 44; 45; 46

Downstream Synthesis Route 5

• 96-49-1
• 5437-99-0

• 408340-97-6

Reference: [1]Journal of the American Chemical Society,1946,vol. 68,p. 781,783

Downstream Synthesis Route 6

• 96-49-1
• 123-31-9

• 104-38-1

Reference: [1]Patent: CN104311461,2017,B .Location in patent: Paragraph 0037; 0038; 0039
[2]Journal of the American Chemical Society,1957,vol. 79,p. 672,674
[3]Polymer,2011,vol. 52,p. 904 - 911

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