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Dotetracontane , CAS No.7098-20-6

COA

Grade & Purity:

≥95%

Cas Number: 7098-20-6
Molecular Weight: 591.15
PubChem CID: 123244

In stock

Item Number

D347728

Grouped product items
SKU	Size	Availability	Price	Qty
D347728-100mg	100mg	2	$62.90
D347728-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$249.90

a useful analytical standard

View related series

Alkyl chain (3)

Basic Description

Synonyms	n-Dotetracontane
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Dotetracontane is a useful analytical standard.

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	Alkanes
Alternative Parents	Not available
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acyclic alkane - Alkane - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
External Descriptors	Not available
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	dotetracontane
INCHI	InChI=1S/C42H86/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3
InChIKey	FTJPDYTXORWVLU-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Isomeric SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Molecular Weight	591.15
Reaxy-Rn	1714988
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1714988&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
H2413333	Certificate of Analysis	Jul 29, 2024	D347728
H2413332	Certificate of Analysis	Jul 29, 2024	D347728

Chemical and Physical Properties

Boil Point(°C)	~536.1° C at 760 mmHg (Predicted)
Melt Point(°C)	83-86° C
Molecular Weight	591.100 g/mol
XLogP3	22.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	39
Exact Mass	590.673 Da
Monoisotopic Mass	590.673 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	386.000
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

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