2,5-Dimethyltetrahydrofuran - ≥98%(isomeric mixture), stabilized with BHT , CAS No.1003-38-9

CAS: 1003-38-9 Cat. No.: D155243 Summenformel: C₆H₁₂O Molekulargewicht: 100.16 Beilstein Registry Number: 102563 EG-Nummer: 213-707-6

GRADE & PURITY ≥98%(isomeric mixture), stabilized with BHT

Synonyms

Tetrahydro-2,5-dimethylfuran | 2,5-DIMETHYLTETRAHYDROFURAN | 2,5-dimethyl-tetrahydrofuran | 2,5-dimethyl-tetrahydro-furan | T18L0V4N9I | D1948 | UNII-T18L0V4N9I | FT-0610482 | (2R,5S)-2,5-dimethyltetrahydrofuran | 2,5-DIMETHYLTETRAHYDROFURAN (STABILZED WI

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

Tetrahydro-2,5-dimethylfuran | 2,5-DIMETHYLTETRAHYDROFURAN | 2,5-dimethyl-tetrahydrofuran | 2,5-dimethyl-tetrahydro-furan | T18L0V4N9I | D1948 | UNII-T18L0V4N9I | FT-0610482 | (2R,5S)-2,5-dimethyltetrahydrofuran | 2,5-DIMETHYLTETRAHYDROFURAN (STABILZED WI

Spezifikationen & Reinheit

≥98%(isomeric mixture), stabilized with BHT

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%(isomeric mixture)

Namen und Kennungen

Pubchem Sid

504752500

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752500

Kanonisches Lächeln

CC1CCC(O1)C

IUPAC Name

2,5-dimethyloxolane

InChIKey

OXMIDRBAFOEOQT-UHFFFAOYSA-N

INCHI

1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3

Isomere SMILES

CC1CCC(O1)C

WGK Deutschland

3

Molekulargewicht

100.16

Beilstein

102563

Reaxy-Rn

102563

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102563&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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in water: Practically Insoluble; Degree of Solubility in water: 6.7 g/l 20 °C
• Empfindlichkeit: air sensitive
• Brechungsindex: 1.4020 - 1.4050
• Flammpunkt (°F): 80.6 °F
• Flammpunkt (°C): 27°C(lit.)
• Siedepunkt (°C): 92 °C
• Molekulargewicht: 100.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 100.089 Da
• Monoisotopic Mass: 100.089 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 53.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1