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Pentacontane - ≥98.0% (GC), high purity , CAS No.6596-40-3

COA

Grade & Purity:

≥98%(GC)

Cas Number: 6596-40-3
Molecular Weight: 703.37
Beilstein Registry Number: 1807880
MDL number: MFCD00042907
PubChem CID: 81067

In stock

Item Number

P465345

Grouped product items
SKU	Size	Availability	Price	Qty
P465345-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$363.90
P465345-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,101.90

Basic Description

Synonyms	Pentacontane, analytical standard \| T72792 \| P0964 \| Q11337546 \| EINECS 229-534-4 \| FT-0747564 \| Pentacontane; n-Pentacontane \| DTXSID70216171 \| n-Pentacontane \| MFCD00042907 \| Pentacontane \| Pentacontane, >=98.0% (GC)
Specifications & Purity	≥98%(GC)

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	pentacontane
INCHI	InChI=1S/C50H102/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-50H2,1-2H3
InChIKey	PFLUOWJPZLHUEA-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Isomeric SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
WGK Germany	3
PubChem CID	81067
Molecular Weight	703.37
Beilstein	1807880
Reaxy-Rn	1807879

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	94 °C
Molecular Weight	703.300 g/mol
XLogP3	26.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	47
Exact Mass	702.798 Da
Monoisotopic Mass	702.798 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	488.000
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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