3-Methylsalicylic acid - CAS 83-40-9

Name: 3-Methylsalicylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037024
Product Name:	3-Methylsalicylic acid
CAS:	83-40-9
Synonyms:	2-hydroxy-3-methylbenzoic acid
Application:	3-Methylsalicylic acid has marked fibrinolytic activity in human plasma by activating its fibrinolytic system. It is used in manufacturing of dyes.

Technical Data

IUPAC Name:	2-hydroxy-3-methylbenzoic acid
Description:	3-Methylsalicylic acid has marked fibrinolytic activity in human plasma by activating its fibrinolytic system. It is a salicylic acid derivative compound, which toxicity is similar to salicylic acid. It is used in manufacturing of dyes.
Molecular Weight:	152.15
Molecular Formula:	C8H8O3
Canonical SMILES:	CC1=CC=CC(=C1O)C(=O)O
InChI:	InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
InChI Key:	WHSXTWFYRGOBGO-UHFFFAOYSA-N
Boiling Point:	293.2±28.0 °C \| Condition: Press: 760 Torr
Melting Point:	165.5 °C
Purity:	> 98 %
Density:	1.304±0.06 g/cm³ \| Condition: Temp: 20 °C Press: 760 Torr
Solubility:	DMSO : ≥ 1.5 mg/mL
Appearance:	White to off-white or pale pink powder
Storage:	-20 °C Freezer
MDL:	MFCD00002448
LogP:	1.39880
Quality Standard:	In-house standard
Vapor Pressure:	0.0000514 [mmHg]

GHS Hazard Statement:	H302 (98.55%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-112500719-A	Black dye composition and preparation method thereof	20201124
CN-112209852-A	Method for preparing hydroxamic acid compound by peroxide	20201103
US-10912753-B1	Topical skin care composition	20201020
CN-112574033-A	Synthesis method of 1-hydroxy-2,5,8-trimethyl-9-fluorenone	20200709
CN-211654768-U	Dissociation device in mass spectrum source based on plasma principle	20200514

PMID	Publication Date	Title	Journal
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
22837166	20120901	Reduced short-interval intracortical inhibition after eccentric muscle damage in human elbow flexor muscles	Journal of applied physiology (Bethesda, Md. : 1985)
22831915	20120806	Copper(I) complexes with trispyrazolylmethane ligands: synthesis, characterization, and catalytic activity in cross-coupling reactions	Inorganic chemistry
22341761	20120701	Minimization of treatment time for in vitro 1.1 MHz destruction of Pseudomonas aeruginosa biofilms by high-intensity focused ultrasound	Ultrasonics
21507228	20110420	The concept of 'compartment allergy': prilocaine injected into different skin layers	Allergy, asthma, and clinical immunology : official journal of the Canadian Society of Allergy and Clinical Immunology

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9