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1,2,4-Trimethylcyclohexane (mixture of stereoisomers) - 96%, high purity , CAS No.2234-75-5

COA

Grade & Purity:

≥96%

Cas Number: 2234-75-5
Molecular Weight: 126.24
Beilstein Registry Number: 1900480
MDL number: MFCD00019385
PubChem CID: 91517
PubChem SID: 504756069

In stock

Item Number

T161696

Grouped product items
SKU	Size	Availability	Price
T161696-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
T161696-25ml	25ml	1	$56.90
T161696-100ml	100ml	1	$201.90
T161696-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$419.90

View related series

alkane (162) Non heterocyclic block (8163)

Basic Description

Synonyms	J-500297 \| Cis,trans,trans-1,2,4-trimethylcyclohexane \| EINECS 218-783-4 \| VCJPCEVERINRSG-UHFFFAOYSA-N \| FT-0634154 \| (1R,2R,4R)-1,2,4-trimethyl-cyclohexane \| LMFA11000635 \| MFCD00019385 \| Cyclohexane, 1,2,4-trimethyl-, (1R,2R,4R)-rel- \| CAA23475 \| Cycloh
Specifications & Purity	≥96%
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	504756069
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756069
IUPAC Name	1,2,4-trimethylcyclohexane
INCHI	InChI=1S/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3
InChIKey	VCJPCEVERINRSG-UHFFFAOYSA-N
Smiles	CC1CCC(C(C1)C)C
Isomeric SMILES	CC1CCC(C(C1)C)C
WGK Germany	3
PubChem CID	91517
Molecular Weight	126.24
Beilstein	1900480
Reaxy-Rn	1900477

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
H2421277	Certificate of Analysis	Jun 17, 2024	T161696
H2421278	Certificate of Analysis	Jun 17, 2024	T161696
H2421297	Certificate of Analysis	Jun 17, 2024	T161696
K2308244	Certificate of Analysis	Oct 25, 2023	T161696
K2308226	Certificate of Analysis	Oct 25, 2023	T161696
K2308241	Certificate of Analysis	Oct 25, 2023	T161696
K2308229	Certificate of Analysis	Oct 25, 2023	T161696

Chemical and Physical Properties

Refractive Index	1.43
Flash Point(°F)	66.2 °F
Flash Point(°C)	19°C(lit.)
Boil Point(°C)	145°C(lit.)
Molecular Weight	126.240 g/mol
XLogP3	4.000
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	86.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
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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