2,4-Dimethylhexane - ≥98%(GC) , CAS No.589-43-5

CAS: 589-43-5 Cat. No.: D155187 Formula: C₈H₁₈ Molecular Weight: 114.23 Beilstein Registry Number: 1718750 EC Number: 209-649-6

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0610176 | EINECS 292-458-5 | 2,4-Dimethylhexane, 99% | 9A9NBD65O2 | D1110 | D89783 | UNII-9A9NBD65O2 | 3SN75WMJ83 | EINECS 209-649-6 | 2,4-Dimethyl hexane | 2,4-DIMETHYLHEXANE | 2,4-dimethyl-hexane | 2-methyl-4-ethyl-pentane | UNII-3SN75WMJ83 | NSC7417

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

2,4-Dimethylhexane can be gas chromatographically enantioseparated on different modified cyclodextrins.

Specifications

Synonyms

FT-0610176 | EINECS 292-458-5 | 2,4-Dimethylhexane, 99% | 9A9NBD65O2 | D1110 | D89783 | UNII-9A9NBD65O2 | 3SN75WMJ83 | EINECS 209-649-6 | 2,4-Dimethyl hexane | 2,4-DIMETHYLHEXANE | 2,4-dimethyl-hexane | 2-methyl-4-ethyl-pentane | UNII-3SN75WMJ83 | NSC7417

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504752144
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752144
• Canonical Smiles: CCC(C)CC(C)C
• IUPAC Name: 2,4-dimethylhexane
• InChIKey: HDGQICNBXPAKLR-UHFFFAOYSA-N
• INCHI: 1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3
• Isomeric SMILES: CCC(C)CC(C)C
• WGK Germany: 2
• Molecular Weight: 114.23
• Beilstein: 1718750
• Reaxy-Rn: 1718748
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718748&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• 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

• Refractive Index: 1.395
• Flash Point(°C): 10 °C
• Boil Point(°C): 109 °C
• Molecular Weight: 114.230 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 114.141 Da
• Monoisotopic Mass: 114.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.000
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 589-43-5, the molecular formula is C8H18, and the molecular weight is 114.23 g/mol. InChIKey HDGQICNBXPAKLR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.