Diisopropyl ether - Ph.Eur., Premium-Grade Reagents, Suitable for Analysis, ACS, Containing 100ppm BHT stabilizer , CAS No.108-20-3

CAS: 108-20-3 Cat. No.: D431372 Formula: C₆H₁₄O Molecular Weight: 102.17 Beilstein Registry Number: 1731256 EC Number: 203-560-6

GRADE & PURITY Ph.Eur., Premium-Grade Reagents, Suitable for Analysis, ACS, Containing 100ppm BHT stabilizer

Synonyms

Diisopropyl ether, puriss. p.a., >=98.5% (GC) | diisoproply ether | UN1159 | Di(2-propyl) ether | HSDB 624 | (iso-C3H7)2O | Diisopropyl ether, SAJ first grade, >=99.0% | 2-Isopropoxypropane | 2-isopropoxy-propane | I0917 | 2-(propan-2-yloxy)propane | ISOP

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

Diisopropyl ether, puriss. p.a., >=98.5% (GC) | diisoproply ether | UN1159 | Di(2-propyl) ether | HSDB 624 | (iso-C3H7)2O | Diisopropyl ether, SAJ first grade, >=99.0% | 2-Isopropoxypropane | 2-isopropoxy-propane | I0917 | 2-(propan-2-yloxy)propane | ISOP

Specifications & Purity

Ph.Eur., Premium-Grade Reagents, Suitable for Analysis, ACS, Containing 100ppm BHT stabilizer

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Grade

ACS, Ph.Eur., Premium-Grade Reagents, Suitable for Analysis

Names and Identifiers

Pubchem Sid

528769614

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

• Sensitivity: Light sensitive；Air 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