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Methyl trans-4-Hydroxycyclohexanecarboxylate - >98.0%(GC), high purity , CAS No.6125-57-1

COA

Grade & Purity:

≥98%(GC)

Cas Number: 6125-57-1
Molecular Weight: 158.2
Beilstein Registry Number: 10(3)18
PubChem CID: 87117
PubChem SID: 488186394

In stock

Item Number

M157903

Grouped product items
SKU	Size	Availability	Price
M157903-250mg	250mg	3	$13.90
M157903-1g	1g	3	$42.90
M157903-5g	5g	10	$209.90
M157903-25g	25g	2	$940.90
M157903-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,385.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	DTXSID70169830 \| M1991 \| trans-4-Hydroxy-cyclohexanecarboxylic acid methyl ester \| cis-methyl 4-hydroxycyclohexanecarboxylate \| SB11017 \| AMY34207 \| trans-Methyl 4-hydroxycyclohexanecarboxylate \| cis-methyl4-hydroxycyclohexanecarboxylate \| AM9680 \| MFCD00
Specifications & Purity	≥98%(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	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

Pubchem Sid	488186394
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186394
IUPAC Name	methyl 4-hydroxycyclohexane-1-carboxylate
INCHI	InChI=1S/C8H14O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7,9H,2-5H2,1H3
InChIKey	HYDYVXROZHFTGB-UHFFFAOYSA-N
Smiles	COC(=O)C1CCC(CC1)O
Isomeric SMILES	COC(=O)C1CCC(CC1)O
Molecular Weight	158.2
Beilstein	10(3)18
Reaxy-Rn	2690317
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2690317&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
L2417138	Certificate of Analysis	Dec 25, 2024	M157903
L2417137	Certificate of Analysis	Dec 23, 2024	M157903
L22071244	Certificate of Analysis	Dec 15, 2022	M157903
L2417136	Certificate of Analysis	Dec 15, 2022	M157903
D2320169	Certificate of Analysis	Sep 19, 2022	M157903
K1827042	Certificate of Analysis	Sep 19, 2022	M157903
K1827041	Certificate of Analysis	Sep 19, 2022	M157903

Chemical and Physical Properties

Refractive Index	1.47
Boil Point(°C)	125°C/0.3mmHg(lit.)
Molecular Weight	158.190 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	158.094 Da
Monoisotopic Mass	158.094 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136.000
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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