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3-HYDROXY-5-METHYL-BENZOIC ACID - 97%, high purity , CAS No.585-81-9

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3-HYDROXY-5-METHYL-BENZOIC ACID - 97%, high purity , CAS No.585-81-9

COA

Grade & Purity:

≥97%

Cas Number: 585-81-9
Molecular Weight: 152.15
PubChem CID: 231756
PubChem SID: 488188826

In stock

Item Number

H194080

Grouped product items
SKU	Size	Availability	Price
H194080-250mg	250mg	3	$14.90
H194080-1g	1g	4	$37.90
H194080-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$120.90
H194080-10g	10g	1	$227.90
H194080-25g	25g	2	$445.90
H194080-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,605.90

Basic Description

Synonyms	3-hydroxy-5-methylbenzoic acid \| 585-81-9 \| 3-Hydroxy-5-methyl-benzoic acid \| 3,5-Cresotic acid \| Benzoic acid, 3-hydroxy-5-methyl- \| 3-hydroxy-5-methylbenzoicacid \| MFCD09833213 \| CHEMBL2146905 \| 3-Hydroxy-5-methyl benzoic acid \| 3-methyl-5-oxidanyl-benzoic acid \| NSC28456 \|
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Hydroxybenzoic acid derivatives
Alternative Parents	Benzoic acids Meta cresols Benzoyl derivatives Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hydroxybenzoic acid - Benzoic acid - Benzoyl - M-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
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

Associated Targets(non-human)

Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)

Discover Target: Hcar2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

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

Names and Identifiers

Pubchem Sid	488188826
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188826
IUPAC Name	3-hydroxy-5-methylbenzoic acid
INCHI	InChI=1S/C8H8O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3,(H,10,11)
InChIKey	CFXOUQXGRQXUSE-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1)O)C(=O)O
Isomeric SMILES	CC1=CC(=CC(=C1)O)C(=O)O
Molecular Weight	152.15
Reaxy-Rn	2082430
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2082430&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.

6 results found

Lot Number	Certificate Type	Date	Item
L2129139	Certificate of Analysis	Oct 24, 2024	H194080
L2129140	Certificate of Analysis	Oct 24, 2024	H194080
L2129141	Certificate of Analysis	Oct 24, 2024	H194080
L2129142	Certificate of Analysis	Oct 24, 2024	H194080
L2129143	Certificate of Analysis	Oct 24, 2024	H194080
L2129144	Certificate of Analysis	Oct 24, 2024	H194080

Chemical and Physical Properties

Molecular Weight	152.150 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	152.047 Da
Monoisotopic Mass	152.047 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	155.000
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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