6-Methylsalicylic acid - CAS 567-61-3

Name: 6-Methylsalicylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029483
Product Name:	6-Methylsalicylic acid
CAS:	567-61-3
Synonyms:	6-Hydroxy-o-toluic acid; 2,6-Cresotic acid; 6-MSA; 6-Methyl-2-hydroxybenzenecarboxylate; 6-hydroxy-2-methylbenzoic acid; NSC 403256

Technical Data

IUPAC Name:	2-hydroxy-6-methylbenzoic acid
Description:	It is the core salicylic acid unit in the biosynthesis of many secondary metabolites in actinomycetes, fungi and lichens. This polyketone is a key structural part of many different antibiotics and anticancer drugs, such as chlorothricin, maduropeptin, neocarzinostatin and terreic acid.
Molecular Weight:	152.15
Molecular Formula:	C8H8O3
Canonical SMILES:	CC1=C(C(=CC=C1)O)C(=O)O
InChI:	InChI=1S/C8H8O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChI Key:	HCJMNOSIAGSZBM-UHFFFAOYSA-N
Boiling Point:	300.4±30.0 °C (Predicted)
Melting Point:	141.5-142 °C
Purity:	> 95 % by HPLC
Density:	1.304±0.06 g/cm³ (Predicted)
Solubility:	Soluble in DMF, DMSO, Ethanol, Methanol
Appearance:	Crystalline solid
Storage:	Store at -20 °C
MDL:	MFCD01194284
LogP:	1.39880

Publication Number	Title	Priority Date
CN-113072441-A	Preparation method of 2-methoxy-6-methylbenzoic acid	20210419
CN-111809068-A	Preparation method of ammonium metavanadate for all-vanadium redox flow battery	20200908
CN-111809068-B	Preparation method of ammonium metavanadate for all-vanadium redox flow battery	20200908
CN-111438370-A	Preparation method of silver nanoparticles and application of silver nanoparticles in conductive ink and thin film	20200321
WO-2021095815-A1	Electrolyte solution for electrolytic capacitors, and electrolytic capacitor	20191115

PMID	Publication Date	Title	Journal
23083207	20121102	Total synthesis of pactamycin and pactamycate: a detailed account	The Journal of organic chemistry
22341761	20120701	Minimization of treatment time for in vitro 1.1 MHz destruction of Pseudomonas aeruginosa biofilms by high-intensity focused ultrasound	Ultrasonics
22380482	20120301	Four butyrolactones and diverse bioactive secondary metabolites from terrestrial Aspergillus flavipes MM2: isolation and structure determination	Organic and medicinal chemistry letters
22558344	20120101	The speed of smell: odor-object segregation within milliseconds	PloS one
21909256	20110901	Genomic and proteomic analyses of the fungus Arthrobotrys oligospora provide insights into nematode-trap formation	PLoS pathogens

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.047344113
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	152.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9