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2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol - 95%, high purity , CAS No.42822-86-6

COA

Grade & Purity:

≥95%

Cas Number: 42822-86-6
Molecular Weight: 172.26
PubChem CID: 556998

In stock

Item Number

H589102

Grouped product items
SKU	Size	Availability	Price
H589102-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$50.90
H589102-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$225.90
H589102-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$390.90

View related series

Cyclohexanol (1)

Basic Description

Synonyms	AMY584 \| (+/-)-P-MENTHANE-3,8-DIOL \| FEMA NO. 4053 \| AS-57135 \| FT-0623947 \| 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol \| EINECS 255-953-7 \| p-Menthan-3,8-diol 100 microg/mL in Acetonitrile \| 4-Piperidineaceticacid, ethyl ester, hydrochloride (1:1) \| 2
Specifications & Purity	≥95%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Monoterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Monoterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Menthane monoterpenoids
Alternative Parents	Monocyclic monoterpenoids Cyclohexanols Tertiary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	P-menthane monoterpenoid - Monocyclic monoterpenoid - Cyclohexanol - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
External Descriptors	a small molecule
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	2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
INCHI	InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3
InChIKey	LMXFTMYMHGYJEI-UHFFFAOYSA-N
Smiles	CC1CCC(C(C1)O)C(C)(C)O
Isomeric SMILES	CC1CCC(C(C1)O)C(C)(C)O
Molecular Weight	172.26
Reaxy-Rn	2552262
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2552262&ln=

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

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6 results found

Lot Number	Certificate Type	Date	Item
F2526503	Certificate of Analysis	Jun 16, 2025	H589102
F2526504	Certificate of Analysis	Jun 16, 2025	H589102
F2526505	Certificate of Analysis	Jun 16, 2025	H589102
F2526506	Certificate of Analysis	Jun 16, 2025	H589102
F2526507	Certificate of Analysis	Jun 16, 2025	H589102
F2526508	Certificate of Analysis	Jun 16, 2025	H589102

Chemical and Physical Properties

Molecular Weight	172.260 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	172.146 Da
Monoisotopic Mass	172.146 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	154.000
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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