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3-Methylhexane - >95.0%(GC), high purity , CAS No.589-34-4

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3-Methylhexane - >95.0%(GC), high purity , CAS No.589-34-4

2 Citations

COA

Grade & Purity:

≥95%(GC)

Cas Number: 589-34-4
Molecular Weight: 100.21
Beilstein Registry Number: 1718740
MDL number: MFCD00009408
PubChem CID: 11507
PubChem SID: 504752142

In stock

Item Number

M158521

Grouped product items
SKU	Size	Availability	Price
M158521-1ml	1ml	2	$18.90
M158521-5ml	5ml	3	$69.90
M158521-25ml	25ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$267.90

View related series

alkane (162) Non heterocyclic block (8163)

Basic Description

Synonyms	(S)-(+)-3-methylhexane \| AKOS015841881 \| DTXSID3044334 \| (+/-)-3-METHYLHEXANE \| 3-Methylhexane, 99% \| 3-Methylhexane; (+/-)-3-Methylhexane; 2-Ethylpentane; NSC 73937 \| EINECS 209-643-3 \| 1J3ZK6L6VY \| Hexane, 3-methyl- \| NCGC00260396-01 \| NSC73937 \| NSC-73
Specifications & Purity	≥95%(GC)
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504752142
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752142
IUPAC Name	3-methylhexane
INCHI	InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
InChIKey	VLJXXKKOSFGPHI-UHFFFAOYSA-N
Smiles	CCCC(C)CC
Isomeric SMILES	CCCC(C)CC
WGK Germany	2
UN Number	1206
Packing Group	II
Molecular Weight	100.21
Beilstein	1718740
Reaxy-Rn	1718740
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718740&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.

11 results found

Lot Number	Certificate Type	Date	Item
F2517237	Certificate of Analysis	Apr 27, 2025	M158521
E2507489	Certificate of Analysis	Apr 27, 2025	M158521
E2507490	Certificate of Analysis	Apr 27, 2025	M158521
E2507491	Certificate of Analysis	Apr 27, 2025	M158521
E2507492	Certificate of Analysis	Apr 27, 2025	M158521
C2504311	Certificate of Analysis	Jun 28, 2024	M158521
G2023065	Certificate of Analysis	May 08, 2024	M158521
K2321353	Certificate of Analysis	Nov 04, 2023	M158521
K2321460	Certificate of Analysis	Nov 04, 2023	M158521
C2301873	Certificate of Analysis	Feb 17, 2023	M158521
C2301868	Certificate of Analysis	Feb 17, 2023	M158521

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Chemical and Physical Properties

Sensitivity	Hygroscopic
Refractive Index	1.39
Flash Point(°F)	30.2 °F
Flash Point(°C)	-1°C
Boil Point(°C)	91 °C
Melt Point(°C)	-119°C
Molecular Weight	100.200 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	100.125 Da
Monoisotopic Mass	100.125 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	31.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Yuan-Yuan Cui, Huan Yao, Cheng-Xiong Yang, Xiu-Ping Yan. (2019) In situ fabrication of microporous organic network coated capillary column for high resolution gas chromatographic separation of hydrocarbons. ELECTROPHORESIS, 40 (16-17): (2186-2192).
2. Wenna Liu, Wanglu Jia, Qiang Wang, Jian Chen, Jinbu Li, Ping’an Peng. (2024) Influencing factors of hydrogen isotopic fractionation of light hydrocarbons during evaporation and implications. ORGANIC GEOCHEMISTRY, 198 (104894).

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