2,4-Dimethylpentane - ≥99%(GC) , CAS No.108-08-7

CAS: 108-08-7 Cat. No.: D155236 Molecular Weight: 100.21 Beilstein Registry Number: 1696860 EC Number: 203-548-0

GRADE & PURITY ≥99%(GC)

Synonyms

D89716 | FT-0610179 | AKOS015841725 | BZHMBWZPUJHVEE-UHFFFAOYSA-N | EINECS 203-548-0 | UNII-4JT8Q9QOHI | Q2813787 | NSC 61989 | J-002056 | InChI=1/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H | Pentane, 2,4-dimethyl-; 2,4-Dimethylpentane; NSC 61989 | Pentane, 2,4-

Storage

Room temperature,Desiccated,Cool

Shipped In

FedEx DG Service

Specifications

Synonyms

D89716 | FT-0610179 | AKOS015841725 | BZHMBWZPUJHVEE-UHFFFAOYSA-N | EINECS 203-548-0 | UNII-4JT8Q9QOHI | Q2813787 | NSC 61989 | J-002056 | InChI=1/C7H16/c1-6(2)5-7(3)4/h6-7H, 5H2, 1-4H | Pentane, 2, 4-dimethyl-; 2, 4-Dimethylpentane; NSC 61989 | Pentane, 2, 4-

Specifications & Purity

≥99%(GC)

Storage

Room temperature, Desiccated, Cool

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 504751501
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751501
• Canonical Smiles: CC(C)CC(C)C
• IUPAC Name: 2,4-dimethylpentane
• InChIKey: BZHMBWZPUJHVEE-UHFFFAOYSA-N
• INCHI: 1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3
• Isomeric SMILES: CC(C)CC(C)C
• WGK Germany: 3
• UN Number: 3295
• Packing Group: II
• Molecular Weight: 100.21
• Beilstein: 1696860
• Reaxy-Rn: 1696855
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696855&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

• Solubility: Soluble in acetone, benzene, chloroform, alcohol and ether.
• Refractive Index: 1.381(lit.)
• Flash Point(°F): 19.4 °F
• Flash Point(°C): -7°C
• Boil Point(°C): 80 °C(lit.)
• Melt Point(°C): -123°C(lit.)
• Molecular Weight: 100.200 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 100.125 Da
• Monoisotopic Mass: 100.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 29.300
• 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

References

1. Ruijuan Duan, Meiling Qi.  (2021)  Amphiphilic triblock copolymer as the gas chromatographic stationary phase with high-resolution performance towards a wide range of isomers and the components of lemon essential oil.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:34666270] [10.1016/j.chroma.2021.462611]

2. Chu Zeng, Hong-Tao Jiang, Ming Xu, Zhi-Yuan Gu.  (2026)  Stabilizing an scu-topology Zr-MOF via linker installation for enhanced gas chromatographic separation.  TALANTA,      [PMID:41619326] [10.1016/j.talanta.2026.129469]