3-Methyltetrahydrofuran - ≥95%(GC) , CAS No.13423-15-9

CAS: 13423-15-9 Cat. No.: M302425 Formula: C₅H₁₀O Peso molecolare: 86.13 Numero EC: 236-537-4

GRADE & PURITY ≥95%(GC)

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥95%(GC)

Nomi e identificatori

• Pubchem Sid: 504756396
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756396
• Sorrisi canonici: CC1CCOC1
• IUPAC Name: 3-methyloxolane
• InChIKey: LJPCNSSTRWGCMZ-UHFFFAOYSA-N
• INCHI: 1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3
• Isomeri SMILES: CC1CCOC1
• Peso molecolare: 86.13
• Reaxy-Rn: 102442
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102442&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetrahydrofuran - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.41
• Punto di infiammabilità (°C): -6°C(lit.)
• Punto di ebollizione (°C): 89°C(lit.)
• Peso molecolare: 86.130 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 86.0732 Da
• Monoisotopic Mass: 86.0732 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 43.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

1. 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]