2,2-Dimethylhexane - ≥98% , CAS No.590-73-8

CAS: 590-73-8 Cat. No.: D106282 Formule: C₈H₁₈ Poids moléculaire: 114.23 Beilstein Registry Number: 1696861 Numéro CE: 209-689-4

GRADE & PURITY ≥98%

Synonyms

2,2-Dimethylhexane, 98% | UNII-G1EH35W01H | 2,2-DIMETHYLHEXANE | 2,2-dimethyl-hexane | InChI=1/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H | AKOS015841499 | D89814 | 2,2-Dimethyl hexane | Hexane,2-dimethyl- | NSC174065 | NSC-174065 | DTXSID9073200 | (CH3)3C(CH2)3C

Storage

Room temperature

Shipped In

FedEx DG Service

Vue d’ensemble

2,2-Dimethylhexane is one of the products of the corona discharge of a simulated Titan′s atmosphere (2% argon in nitrogen and 10% methane) at 500 Torr and 298 K (using GC-FTIR-MS techniques).

Product description：

2,2-Dimethylhexane is one of the products of the corona discharge of a simulated Titan′s atmosphere (2% argon in nitrogen and 10% methane) at 500 Torr and 298 K (using GC-FTIR-MS techniques). It was used to study the adsorption of linear and branched alkanes on a microporous silicoaluminophosphate material (SAPO-5) using chromatographic techniques.

Specifications

Synonymes

2,2-Dimethylhexane, 98% | UNII-G1EH35W01H | 2,2-DIMETHYLHEXANE | 2,2-dimethyl-hexane | InChI=1/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H | AKOS015841499 | D89814 | 2,2-Dimethyl hexane | Hexane,2-dimethyl- | NSC174065 | NSC-174065 | DTXSID9073200 | (CH3)3C(CH2)3C

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504752156

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752156

Sourires canoniques

CCCCC(C)(C)C

IUPAC Name

2,2-dimethylhexane

InChIKey

FLTJDUOFAQWHDF-UHFFFAOYSA-N

INCHI

1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3

Isomères SMILES

CCCCC(C)(C)C

WGK Allemagne

3

Numéro ONU

3295

Poids moléculaire

114.23

Beilstein

1696861

Reaxy-Rn

1696861

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696861&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water, easily soluble in ethanol, and miscible in ether, acetone, chloroform, and benzene.
• Indice de réfraction: 1.39
• Point d'éclair (°F): 26.6 °F
• Point d'éclair (°C): 6 °C
• Point d'ébullition (°C): 106°C
• Poids moléculaire: 114.230 g/mol
• XLogP3: 4.100
• 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: 47.500
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 590-73-8, the molecular formula is C8H18, and the molecular weight is 114.23 g/mol. InChIKey FLTJDUOFAQWHDF-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.