2-Methyltetrahydrofuran - anhydrous, ≥99%, stabilized with 250 ppm BHT , CAS No.96-47-9

CAS: 96-47-9 Cat. No.: M119683 Summenformel: C₅H₁₀O Molekulargewicht: 86.13 Beilstein Registry Number: 102448 EG-Nummer: 202-507-4

QUALITÄT & REINHEIT Anhydrous Grade, ≥99%, stabilized with 250 ppm BHT

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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

anhydrous, ≥99%, stabilized with 250 ppm BHT

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Anhydrous Grade

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

508808446

Kanonisches Lächeln

CC1CCCO1

IUPAC Name

2-methyloxolane

InChIKey

JWUJQDFVADABEY-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CC1CCCO1

WGK Deutschland

2

RTECS

LU2800000

UN-Nummer

2536

Verpackungsgruppe

II

Molekulargewicht

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
    • Klasse Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Zugehörige Ziele (nicht menschlich)

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Brechungsindex: 1.4025
• Flammpunkt (°F): 14 °F
• Flammpunkt (°C): -11℃
• Siedepunkt (°C): 80.2°C
• Molekulargewicht: 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