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

CAS: 13423-15-9 Cat. No.: M302425 분자식: C₅H₁₀O 분자량: 86.13 EC 번호: 236-537-4

GRADE & PURITY ≥95%(GC)

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

사양 및 순도

≥95%(GC)

보관 조건

Room temperature,Desiccated

배송

Normal

순수함

≥95%(GC)

이름과 식별자

• Pubchem Sid: 504756396
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756396
• 정식 스마일: CC1CCOC1
• IUPAC Name: 3-methyloxolane
• InChIKey: LJPCNSSTRWGCMZ-UHFFFAOYSA-N
• INCHI: 1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3
• 이성체 SMILES: CC1CCOC1
• 분자량: 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
    • 분류 Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 굴절률: 1.41
• 발화점(°C): -6°C(lit.)
• 끓는점(°C): 89°C(lit.)
• 분자량: 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

참고 문헌

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]