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2,6-Dimethylcyclohexanol (mixture of isomers) - >99.0%(GC), high purity , CAS No.5337-72-4

COA

Grade & Purity:

≥99%(GC)

Cas Number: 5337-72-4
Molecular Weight: 128.22
Beilstein Registry Number: 6,18
MDL number: MFCD00001502
PubChem CID: 21428

In stock

Item Number

D155910

Grouped product items
SKU	Size	Availability	Price	Qty
D155910-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
D155910-25ml	25ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90

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alcohol (850) Oxygenated compounds (806)

Basic Description

Synonyms	SB83846 \| AKOS021983365 \| D89887 \| Cyclohexanol,6-dimethyl- \| 4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)benzamide \| alpha,alpha,alpha-2,6-Dimethylcyclohexanol \| EINECS 226-264-9 \| 2,6-dimethylcyclohexyl alcohol \| 3,3a-Diphenyl-4-thioxo-3,3a,4,8b-tetrahydro-2H
Specifications & Purity	≥99%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols
      - Level5 Secondary alcohols
        Level6 Cyclohexanols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Secondary alcohols
Direct Parent	Cyclohexanols
Alternative Parents	Cyclic alcohols and derivatives Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexanol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2,6-dimethylcyclohexan-1-ol
INCHI	InChI=1S/C8H16O/c1-6-4-3-5-7(2)8(6)9/h6-9H,3-5H2,1-2H3
InChIKey	MOISVRZIQDQVPF-UHFFFAOYSA-N
Smiles	CC1CCCC(C1O)C
Isomeric SMILES	CC1CCCC(C1O)C
Molecular Weight	128.22
Beilstein	6,18
Reaxy-Rn	1919820
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1919820&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.46
Flash Point(°F)	55°C(lit.)
Flash Point(°C)	55°C(lit.)
Boil Point(°C)	173°C(lit.)
Molecular Weight	128.210 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	128.12 Da
Monoisotopic Mass	128.12 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	80.600
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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