Cas no 4158-85-4 (1,3-Dioxolan-4-one, 2,2,5-trimethyl-)

1,3-Dioxolan-4-one, 2,2,5-trimethyl- is a cyclic carbonate derivative characterized by its unique structural properties, including a five-membered dioxolane ring with methyl substitutions at the 2, 2, and 5 positions. This compound is of interest in organic synthesis due to its reactivity as a versatile building block, particularly in the formation of functionalized heterocycles and polymer precursors. Its stability under controlled conditions and selective reactivity make it suitable for applications in fine chemical and pharmaceutical intermediates. The methyl groups enhance steric and electronic effects, influencing its solubility and reactivity profile. Handling requires standard precautions for organic carbonates.
1,3-Dioxolan-4-one, 2,2,5-trimethyl- structure
4158-85-4 structure
Product Name:1,3-Dioxolan-4-one, 2,2,5-trimethyl-
CAS No:4158-85-4
MF:C6H10O3
MW:130.141802310944
CID:1516152
PubChem ID:10171244
Update Time:2025-06-06

1,3-Dioxolan-4-one, 2,2,5-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxolan-4-one, 2,2,5-trimethyl-
    • 2,2,5-trimethyl-1,3-dioxolan-4-one
    • 4158-85-4
    • BS-34538
    • SCHEMBL6796036
    • Inchi： 1S/C6H10O3/c1-4-5(7)9-6(2,3)8-4/h4H,1-3H3
    • InChI Key： ZIGSKLATJCEJNN-UHFFFAOYSA-N
    • SMILES： O1C(C)C(=O)OC1(C)C

Computed Properties

  • Exact Mass: 130.063
  • Monoisotopic Mass: 130.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 139
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53

1,3-Dioxolan-4-one, 2,2,5-trimethyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A2B Chem LLC
AZ04221-250mg
2,2,5-Trimethyl-1,3-dioxolan-4-one
 4158-85-4 95%
250mg
 $209.00 2024-04-20
A2B Chem LLC
AZ04221-1g
2,2,5-Trimethyl-1,3-dioxolan-4-one
 4158-85-4 95%
1g
 $499.00 2024-04-20
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1735611-1g
2,2,5-Trimethyl-1,3-dioxolan-4-one
 4158-85-4 98%
1g
 ￥5566.00 2024-05-14

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