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1,1,4-Trimethylcyclohexane - >98.0%(GC), high purity , CAS No.7094-27-1

COA

Grade & Purity:

≥98%(GC)

Cas Number: 7094-27-1
Molecular Weight: 126.24
MDL number: MFCD00058950
PubChem CID: 35365

In stock

Item Number

T161699

Grouped product items
SKU	Size	Availability	Price	Qty
T161699-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$150.90

View related series

alkane (162) Non heterocyclic block (8163)

Basic Description

Synonyms	T72861 \| InChI=1/C9H18/c1-8-4-6-9(2,3)7-5-8/h8H,4-7H2,1-3H3 \| 1,1,4-Trimethylcyclohexane \| DTXSID50221167 \| T0823 \| UIWORXHEVNIOJG-UHFFFAOYSA-N \| CS-0455110 \| Cyclohexane, 1,1,4-trimethyl- \| UIWORXHEVNIOJG-UHFFFAOYSA- \| MFCD00058950 \| 1,1,4-Trimethyl cycl
Specifications & Purity	≥98%(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	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	1,1,4-trimethylcyclohexane
INCHI	InChI=1S/C9H18/c1-8-4-6-9(2,3)7-5-8/h8H,4-7H2,1-3H3
InChIKey	UIWORXHEVNIOJG-UHFFFAOYSA-N
Smiles	CC1CCC(CC1)(C)C
Isomeric SMILES	CC1CCC(CC1)(C)C
PubChem CID	35365
Molecular Weight	126.24
Reaxy-Rn	1900455

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.43
Flash Point(°C)	25 °C
Boil Point(°C)	135°C(lit.)
Molecular Weight	126.240 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
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	82.200
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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