2-Methyltetrahydrofuran - Standard for GC, ≥99.5%(GC) , CAS No.96-47-9

CAS: 96-47-9 Cat. No.: M106689 Fórmula: C₅H₁₀O Peso molecular: 86.13 Beilstein Registry Number: 102448 Número CE: 202-507-4

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

5-17-01-00078 (Beilstein Handbook Reference) | Furan, tetrahydromethyl- | NCGC00090914-01 | tetrahydromethylfuran | 2-METHYLTETRAHYDROFURAN [MI] | 2-Methyltetrahydrofuran, stabilized, anhydrous, water Max 20ppm | CCRIS 8717 | Methyl tetrahydrofurane | EIN

Storage

Room temperature

Shipped In

FedEx DG Service

Visão geral

Easy to dissolve in organic solvents, solubility in water: 150g/L (25 ℃), with a ether like odor, easily oxidized in air, often stabilized with 0.1% hydroquinone. The preferred solvent for Grignard reaction.

Specifications

Sinónimos

5-17-01-00078 (Beilstein Handbook Reference) | Furan, tetrahydromethyl- | NCGC00090914-01 | tetrahydromethylfuran | 2-METHYLTETRAHYDROFURAN [MI] | 2-Methyltetrahydrofuran, stabilized, anhydrous, water Max 20ppm | CCRIS 8717 | Methyl tetrahydrofurane | EIN

Especificações e pureza

Standard for GC, ≥99.5%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Standard for GC

Pureza

≥99.5%(GC)

Nomes e identificadores

Pubchem Sid

508808447

Sorrisos canónicos

CC1CCCO1

IUPAC Name

2-methyloxolane

InChIKey

JWUJQDFVADABEY-UHFFFAOYSA-N

INCHI

1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3

SMILES isoméricas

CC1CCCO1

WGK Alemanha

2

RTECS

LU2800000

Número UN

2536

Grupo de embalagem

II

Peso molecular

86.13

Beilstein

102448

Reaxy-Rn

102448

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102448&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
• Descrição: 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

Alvos associados (humanos)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.4025
• Ponto de inflamação (°F): 14 °F
• Ponto de inflamação (°C): -11℃
• Ponto de ebulição (°C): 80.2°C
• Peso molecular: 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