Isopropyl ether - analytical standard, ≥99.7%(GC) , CAS No.108-20-3

CAS: 108-20-3 Cat. No.: I110457 Formula: C₆H₁₄O Molecular Weight: 102.17 Beilstein Registry Number: 1731256 EC Number: 203-560-6

GRADE & PURITY Analytical standard, ≥99.7%(GC)

Synonyms

Diisopropyl ether|ISOPROPYL ETHER|108-20-3|2-Isopropoxypropane|Propane, 2,2'-oxybis-|diisopropylether|Diisopropyl oxide|Ether, isopropyl|2,2'-oxydipropane|Bis(isopropyl) ether|Izopropylowy eter|2-propan-2-yloxypropane|Ether isopropylique|DIPE|2,2'-Oxybisp

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

Diisopropyl ether | ISOPROPYL ETHER | 108-20-3 | 2-Isopropoxypropane | Propane, 2,2'-oxybis- | diisopropylether | Diisopropyl oxide | Ether, isopropyl | 2,2'-oxydipropane | Bis(isopropyl) ether | Izopropylowy eter | 2-propan-2-yloxypropane | Ether isopropylique | DIPE | 2,2'-Oxybisp

Specifications & Purity

analytical standard, ≥99.7%(GC)

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Grade

Analytical standard

Purity

≥99.7%(GC)

Names and Identifiers

• Pubchem Sid: 508813450
• Canonical Smiles: CC(C)OC(C)C
• IUPAC Name: 2-propan-2-yloxypropane
• InChIKey: ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
• INCHI: 1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
• Isomeric SMILES: CC(C)OC(C)C
• WGK Germany: 1
• RTECS: TZ5425000
• UN Number: 1159
• Packing Group: II
• Molecular Weight: 102.17
• Beilstein: 1731256
• Reaxy-Rn: 1731256
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731256&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• 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

Chemical and Physical Properties

• Solubility: Insoluble in water, can be mixed in alcohol, ether, benzene, chloroform and most other organic solvents.
• Sensitivity: Light sensitive.
• Refractive Index: 1.3678
• Flash Point(°C): -28℃
• Boil Point(°C): 68-69 °C
• Melt Point(°C): -60 °C
• Molecular Weight: 102.170 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 102.104 Da
• Monoisotopic Mass: 102.104 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 33.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1