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2-Methylundecane - >98.0%(GC), high purity , CAS No.7045-71-8

COA

Grade & Purity:

≥98%(GC)

Cas Number: 7045-71-8
Molecular Weight: 170.34
PubChem CID: 23459

In stock

Item Number

M158517

Grouped product items
SKU	Size	Availability	Price	Qty
M158517-1ml	1ml	2	$584.90

Basic Description

Synonyms	2-Methylundecane \| ISODODECANE \| 7045-71-8 \| Undecane, 2-methyl- \| 31807-55-3 \| H40FL8477B \| 2 2 4 6 6-PENTAMETHYLHEPTANE \| 2-Methylhendecane \| isodo-decane \| UNII-H40FL8477B \| EINECS 230-323-4 \| EINECS 250-816-8 \| DTXSID50873241 \| MFCD00036106 \| AKOS015912736 \| FT-0715064 \| M0239 \| Q2813
Specifications & Purity	≥98%(GC)
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	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	2-methylundecane
INCHI	InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3
InChIKey	GTJOHISYCKPIMT-UHFFFAOYSA-N
Smiles	CCCCCCCCCC(C)C
Isomeric SMILES	CCCCCCCCCC(C)C
Molecular Weight	170.34
Reaxy-Rn	1731755
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731755&ln=

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

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Lot Number	Certificate Type	Date	Item
H2204018	Certificate of Analysis	Jun 21, 2022	M158517

Chemical and Physical Properties

Flash Point(°F)	66°C(lit.)
Flash Point(°C)	66°C(lit.)
Boil Point(°C)	210°C(lit.)
Melt Point(°C)	-46°C(lit.)
Molecular Weight	170.330 g/mol
XLogP3	6.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	8
Exact Mass	170.203 Da
Monoisotopic Mass	170.203 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	74.100
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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