4-Methoxysalicylic Acid

HCID 75231CAS 2237-36-7
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(=O)O)c(O)c1
InChIKey
MRIXVKKOHPQOFK-UHFFFAOYSA-N
Molecular formula
C8H8O4
Average molar mass
168.15 g/mol
Monoisotopic mass
168.04225874

Overview

2-hydroxy-4-methoxybenzoic acid is a methoxybenzoic acid that is benzoic acid substituted by hydroxy and methoxy groups at positions 2 and 4, respectively. It has a role as a plant metabolite. It is a methoxybenzoic acid and a monohydroxybenzoic acid. It is a conjugate acid of a 2-hydroxy-4-methoxybenzoate.

Names & identifiers

Preferred name
4-Methoxysalicylic Acid
IUPAC
2-hydroxy-4-methoxybenzoic acid
English name
4-Methoxysalicylic acid
Molecular formula
C8H8O4
Molecular weight
168.15

Names & synonyms

4-Methoxysalicylic acid2-Hydroxy-4-methoxybenzoic acid2237-36-7EINECS 218-801-0DTXSID50176906NSC 94304RefChem:524846DTXCID7099397218-801-0Benzoic acid, 2-hydroxy-4-methoxy-MFCD000024502-hydroxy-4-methoxy-benzoic acid
Show more names
AKOS 210-044-MethoxysaLASISCHEM D133574-MethoxysalicylicRARECHEM AL BE 00384-Methoxysalicylic a4-METHOXYSALICILICACIDP-MethoxysalicylicAcid
2-Hydroxy-p-anisic Acid4-methoxy salicylic acid2-Hydroxy-4-methoxybenzoicacidOXYBENZONE_met0124-methoxy-salicylic acidDIOXYBENZONE_met015NCIOpen2_001552MLS000517276

Database identifiers

CAS
2237-36-7
PubChem CID
75231
DTXSID
DTXSID50176906
ChEMBL
CHEMBL507095
ChEBI
CHEBI:167809
EC Number
218-801-0
Nikkaji
J213.133A

Properties

Computed structural properties

XLogP
2
Topological polar surface area
66.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section120.33 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Melting point
158 · 158-159 °C(lit.)
Boiling point
217.07 °C · 217.07°C (rough estimate)
Density
1.1816 · 1.1816 (rough estimate)
refractive index
1.4611 · 1.4611 (estimate)
RTECS
2270000 · DH2270000
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29189900
risk_code
36/37/38-20/21/22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses2-Hydroxy-4-methoxybenzoic acid (4-methoxysalicylic acid) was used in the synthesis of 1,3,4-oxadiazole derivatives.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Additional notes

DefinitionChEBI: 4-methoxysalicylic acid is a methoxybenzoic acid.

Related reactions

20 records
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Linked notes

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