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methyl trans-4-hydroxy-1-methyl-cyclohexanecarboxylate - 97%, high purity , CAS No.87787-02-8

COA

Grade & Purity:

≥97%

Cas Number: 87787-02-8
Molecular Weight: 172.22
PubChem CID: 13236236

In stock

Item Number

M634858

Grouped product items
SKU	Size	Availability	Price
M634858-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$213.90
M634858-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$341.90
M634858-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$568.90
M634858-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,024.90

Basic Description

Synonyms	BAGVQRARNBDKOA-UHFFFAOYSA-N \| Cyclohexanecarboxylic acid, 4-hydroxy-1-methyl-, methyl ester, cis- \| P15006 \| METHYL TRANS-4-HYDROXY-1-METHYLCYCLOHEXANECARBOXYLATE \| methyl trans-4-hydroxy-1-methyl-cyclohexanecarboxylate \| 4-hydroxy-1-methylcyclohexanecarb
Specifications & Purity	≥97%
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	Methyl esters Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexanol - Methyl ester - Cyclic alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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

Names and Identifiers

IUPAC Name	methyl 4-hydroxy-1-methylcyclohexane-1-carboxylate
INCHI	InChI=1S/C9H16O3/c1-9(8(11)12-2)5-3-7(10)4-6-9/h7,10H,3-6H2,1-2H3
InChIKey	BAGVQRARNBDKOA-UHFFFAOYSA-N
Smiles	CC1(CCC(CC1)O)C(=O)OC
Isomeric SMILES	CC1(CCC(CC1)O)C(=O)OC
Alternate CAS	87787-05-1
PubChem CID	13236236
Molecular Weight	172.22

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	172.220 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	172.11 Da
Monoisotopic Mass	172.11 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169.000
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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