2-Methyl-1,3-dioxolane - ≥98%(GC) , CAS No.497-26-7

CAS: 497-26-7 Cat. No.: M157785 Molecular Weight: 88.11 Beilstein Registry Number: 102520 EC Number: 207-841-4

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS005207145 | Q27271710 | SY049481 | cisdioxo | NSC 5209 | EINECS 207-841-4 | FT-0612885 | MFCD00003210 | 1,3-Dioxolane, 2-methyl- | NSC5209 | NSC-5209 | M0210 | 2-METHYL-1,3-DIOXOLANE | 2-Methyl-1,3-dioxolane, 97% | 2-Methyldioxole | Methyl-1,3-dioxola

Storage

Room temperature,Desiccated

Shipped In

Normal

Overview

The kinetics and mechanism of the gas-phase thermal decomposition of 2-methyl-1,3-dioxolane has been studied in a static system. The infrared spectra of solid, liquid and gaseous 2-methyl-1,3-dioxolane has been studied. Low-temperature ozonation of 2-methyl-1,3-dioxolane in acetone-d6, methyl acetate and tert-butyl methyl ether has been reported.

Specifications

Synonyms

AKOS005207145 | Q27271710 | SY049481 | cisdioxo | NSC 5209 | EINECS 207-841-4 | FT-0612885 | MFCD00003210 | 1,3-Dioxolane, 2-methyl- | NSC5209 | NSC-5209 | M0210 | 2-METHYL-1,3-DIOXOLANE | 2-Methyl-1,3-dioxolane, 97% | 2-Methyldioxole | Methyl-1,3-dioxola

Specifications & Purity

≥98%(GC)

Storage

Room temperature,Desiccated

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504751934
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751934
• Canonical Smiles: CC1OCCO1
• IUPAC Name: 2-methyl-1,3-dioxolane
• InChIKey: HTWIZMNMTWYQRN-UHFFFAOYSA-N
• INCHI: 1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
• Isomeric SMILES: CC1OCCO1
• WGK Germany: 2
• RTECS: JI3509000
• Molecular Weight: 88.11
• Beilstein: 102520
• Reaxy-Rn: 102520
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102520&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dioxolanes
      • Subclass 1,3-dioxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dioxolanes
• Subclass: 1,3-dioxolanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dioxolanes
• Alternative Parents: Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Meta-dioxolane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3-dioxolanes. These are organic compounds containing 1,3-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility in water: Completely miscible
• Sensitivity: Air Sensitive,Hygroscopic
• Refractive Index: 1.4
• Flash Point(°F): 28.4 °F
• Flash Point(°C): -2 °C
• Boil Point(°C): 83 °C
• Molecular Weight: 88.110 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 88.0524 Da
• Monoisotopic Mass: 88.0524 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 38.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Jiahang Zou, Hanxu Yang, Shilin Wu, Zhengquan Xiao, Zhipeng Jiang, Wangqiang Shen, Yongtao Li.  (2024)  Tuning steric hindrance of cyclic ether electrolytes enables high-voltage lithium metal batteries.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39733543] [10.1016/j.jcis.2024.12.102]

2. Hongyu Lv, Qian Yao, Cheng Zheng, Yanan Sun, Zhao Qian, Zhikai Wei, Fang Xie, Rajeev Ahuja, Jian Yang.  (2025)  Anion-Dipole Repulsions Improve Low-Temperature Performance of μ-Sn for Advanced Sodium-Ion Batteries.  Small,      [PMID:40249114] [10.1002/smll.202502038]