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1-Ethyl-3-methylcyclohexane (cis- and trans- mixture) - 98%, high purity , CAS No.3728-55-0

COA

Grade & Purity:

≥98%

Cas Number: 3728-55-0
Molecular Weight: 126.24
MDL number: MFCD00045510
PubChem CID: 35412
PubChem SID: 504753541

In stock

Item Number

E156078

Grouped product items
SKU	Size	Availability	Price
E156078-0.2ml	0.2ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$44.90
E156078-1ml	1ml	3	$175.90
E156078-5ml	5ml	3	$790.90

View related series

Cyclohexane (81) Non heterocyclic block (8163)

Basic Description

Synonyms	FT-0725515 \| 1-Ethyl-3-methylcyclohexane (cis,trans)- \| E0423 \| 1-Ethyl-3-methylcyclohexane \| Cyclohexane, 1-ethyl-3-methyl- \| UDDVMPHNQKRNNS-UHFFFAOYSA-N \| DTXSID70864893 \| 1-ethyl-trans-3-methylcyclohexane \| 1-methyl-3-ethylcyclohexane \| MFCD00045510 \|
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Hydrocarbons
  - Class Saturated hydrocarbons
    - Subclass Cycloalkanes

Kingdom	Organic compounds
Superclass	Hydrocarbons
Class	Saturated hydrocarbons
Subclass	Cycloalkanes
Intermediate Tree Nodes	Not available
Direct Parent	Cycloalkanes
Alternative Parents	Not available
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cycloalkane - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
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

Pubchem Sid	504753541
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753541
IUPAC Name	1-ethyl-3-methylcyclohexane
INCHI	InChI=1S/C9H18/c1-3-9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3
InChIKey	UDDVMPHNQKRNNS-UHFFFAOYSA-N
Smiles	CCC1CCCC(C1)C
Isomeric SMILES	CCC1CCCC(C1)C
Molecular Weight	126.24
Reaxy-Rn	1900485
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900485&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.

4 results found

Lot Number	Certificate Type	Date	Item
G2315587	Certificate of Analysis	Jun 15, 2023	E156078
G2315637	Certificate of Analysis	Jun 15, 2023	E156078
G2315591	Certificate of Analysis	Jun 15, 2023	E156078
G2315648	Certificate of Analysis	Jun 15, 2023	E156078

Chemical and Physical Properties

Refractive Index	1.43
Flash Point(°C)	32 °C
Boil Point(°C)	150°C(lit.)
Molecular Weight	126.240 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	126.141 Da
Monoisotopic Mass	126.141 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	76.100
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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