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3-Methylsalicylic acid

3-Methylsalicylic acid structure

CAS No:
83-40-9
Formula:
C8H8O3
Chemical Name:
3-Methylsalicylic acid
Synonyms:
Benzoic acid,2-hydroxy-3-methyl-;2,3-Cresotic acid;2-Hydroxy-3-methylbenzoic acid;3-MS;o-Cresotic acid;o-Cresotinic acid;β-Cresotinic acid;o-Homosalicylic acid;2-Hydroxy-m-toluic acid;3-Methylsalicylic acid;2,3-Cresotinic acid;3-Methyl-2-hydroxybenzoic acid;Cresotinic acid;Cresotic acid;Hydroxytoluic acid;NSC 17561;NSC 1772;NSC 50796
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

3-Methylsalicylic acid is a salicylic acid derivative compound with marked fibrinolytic activity in human plasma by activating its fibrinolytic system.

DryPowder|Solid

3-methylsalicylic acid is a monohydroxybenzoic acid consisting of salicylic acid carrying a methyl group at the 3-position. It has a role as a bacterial xenobiotic metabolite. It derives from a salicylic acid.|Hydroxytoluic Acid is a long-acting salicylate derivative with antilipidemic properties. Hydroxytoluic acid has been shown to lower plasma free fatty acid and cholesterol levels.

3-Methylsalicylic acid Basic Attributes

Molecular Weight：

152.15

Exact Mass：

152.15

BRN：

2086811

EC Number：

209-447-8

UNII：

ZH3HEY032H

NSC Number：

755829|50796|17561|1772

DSSTox ID：

DTXSID9038686

NCI Thesaurus Code：

C65873

HScode：

29182990

Characteristics

PSA：

57.5

XLogP3：

2.9

Appearance：

Almost white Fine Powder

Density：

1.3±0.1 g/cm3

Melting Point：

165.5 °C

Boiling Point：

234.6°C (rough estimate)

Flash Point：

145.4±20.5 °C

Refractive Index：

1.600

Water Solubility：

H2O: 1.5 g/L (20 ºC);methanol: soluble 5%, clear to slightly hazy (colorlessto faint brown)

Storage Conditions：

-20°C Freezer

Toxicity：

LD50 oral in rat: 445mg/kg

Safety Information

Transport codes：

UN 2811

wgk germany：

hazard class code：

22-37/38-41

safety instructions：

26-36/39-22

RTECS Number：

BZ4385000

Marks：

Stability/Shelf Life：

Volatile in steam.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (98.55%): Harmful if swallowed [Warning Acute toxicity, oral]|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|Aggregated GHS information provided by 138 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-methylsalicylic acid

3-Methylsalicylic acid Use and Manufacturing

Methods of Manufacturing

Its production includes solid-phase method and solvent method. Compared with the latter, it does not need to deal with the very hygroscopic dry powder of o-cresol sodium salt. When the reaction material is liquid carbon carboxylation, it can be completed by passing CO2 at one time, without steaming phenol halfway, and it can be produced in ordinary pressure equipment, reducing the use of dehydration and carbon carboxylation equipment. The production principles of the two methods are the same.

Uses

In manufacture of dyes.

Intermediates

Manufacturing Info：

Synthetic dye and pigment manufacturing|Benzoic acid, 2-hydroxy-3-methyl-: ACTIVE

Computed Properties

Molecular Weight:152.15
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:152.047344113
Monoisotopic Mass:152.047344113
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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