Skip to the beginning of the images gallery

2,2,4-Trimethylhexane - 98%, high purity , CAS No.16747-26-5

COA

Grade & Purity:

≥98%

Cas Number: 16747-26-5
Molecular Weight: 128.26
Beilstein Registry Number: 1718780
MDL number: MFCD00039928
PubChem CID: 28022

In stock

Item Number

T161698

Grouped product items
SKU	Size	Availability	Price	Qty
T161698-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$54.90
T161698-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$159.90

View related series

alkane (162) Non heterocyclic block (8163)

Basic Description

Synonyms	(+/-)-2,2,4-TRIMETHYLHEXANE \| AI3-28854 \| MFCD00039928 \| Q952800 \| 2,2,4-Trimethyl hexane \| EINECS 240-807-7 \| 2,2,4-TRIMETHYLHEXANE \| 2,2,4-trimethyl-hexane \| AKOS015903604 \| LMFA11000333 \| T71897 \| J-010367 \| UNII-68L13E286X \| 2,2,4-Trimethylhexane, >=9
Specifications & Purity	≥98%
Shipped In	Normal

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	Hydrocarbons
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

Names and Identifiers

IUPAC Name	2,2,4-trimethylhexane
INCHI	InChI=1S/C9H20/c1-6-8(2)7-9(3,4)5/h8H,6-7H2,1-5H3
InChIKey	AFTPEBDOGXRMNQ-UHFFFAOYSA-N
Smiles	CCC(C)CC(C)(C)C
Isomeric SMILES	CCC(C)CC(C)(C)C
WGK Germany	3
PubChem CID	28022
Molecular Weight	128.26
Beilstein	1718780
Reaxy-Rn	1718781

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Refractive Index	n20/D 1.403
Flash Point(°F)	55.4 °F
Flash Point(°C)	13°C(lit.)
Boil Point(°C)	126°C
Molecular Weight	128.250 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	128.157 Da
Monoisotopic Mass	128.157 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	66.600
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration