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trans-1,4-Dimethylcyclohexane - ≥95%(GC), high purity , CAS No.2207-04-7

1 Citations

COA

Grade & Purity:

≥95%(GC)

Cas Number: 2207-04-7
Molecular Weight: 112.22
Beilstein Registry Number: 5(4)123
MDL number: MFCD00064955
PubChem CID: 11523
PubChem SID: 504752150

In stock

Item Number

T161837

Grouped product items
SKU	Size	Availability	Price	Qty
T161837-1ml	1ml	2	$21.90
T161837-5ml	5ml	3	$83.90

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Cyclohexane (81) Non heterocyclic block (8163)

Basic Description

Synonyms	417GE5869Y \| AS-46786 \| D89704 \| 1,4-Dimethylcyclohexane, trans- \| CYCLOHEXANE, 1,4-DIMETHYL-, (E) \| D89914 \| AKOS015915844 \| DTXSID5075284 \| Cyclohexane, 1,4-dimethyl-, cis- \| MFCD00064174 \| cis-p-hexahydroxylene \| 1,cis-4-Dimethylcyclohexane \| QRMPKOFEU
Specifications & Purity	≥95%(GC)
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	Hydrocarbons
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	504752150
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752150
IUPAC Name	1,4-dimethylcyclohexane
INCHI	InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3
InChIKey	QRMPKOFEUHIBNM-UHFFFAOYSA-N
Smiles	CC1CCC(CC1)C
Isomeric SMILES	CC1CCC(CC1)C
Molecular Weight	112.22
Beilstein	5(4)123
Reaxy-Rn	969181
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969181&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
C2310578	Certificate of Analysis	Dec 16, 2022	T161837
C2310439	Certificate of Analysis	Dec 16, 2022	T161837

Chemical and Physical Properties

Refractive Index	1.42
Flash Point(°F)	6°C(lit.)
Flash Point(°C)	6°C(lit.)
Boil Point(°C)	119°C
Molecular Weight	112.210 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	112.125 Da
Monoisotopic Mass	112.125 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	48.400
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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