2,4-Dimethoxybenzoic acid

HCID 7052CAS 91-52-1
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(=O)O)c(OC)c1
InChIKey
GPVDHNVGGIAOQT-UHFFFAOYSA-N
Molecular formula
C9H10O4
Average molar mass
182.17 g/mol
Monoisotopic mass
182.0579088

Overview

2,4-Dimethoxybenzoic acid has been reported in Aconitum kongboense and Salvia candidissima with data available.

Names & identifiers

Preferred name
2,4-Dimethoxybenzoic acid
IUPAC
2,4-dimethoxybenzoic acid
English name
2,4-Dimethoxybenzoic acid
Molecular formula
C9H10O4
Molecular weight
182.17

Names & synonyms

2,4-DIMETHOXYBENZOIC ACID91-52-1Benzoic acid, 2,4-dimethoxy-5699CY3NQJNSC-6316DTXSID105902624-Dimethoxybenzoate2,4-dimethoxybenzoateRefChem:8248324-Dimethoxybenzoic acidDTXCID5048718202-074-1
Show more names
2,4-Dimethoxybenzoic4-DiMethoxybenzoic acid2,4-dimethoxy-benzoicaci2,4-DimethoxybeRARECHEM AL BO 0028DIMETHOXYBENZOIC-2,4 ACIDDIMETHOXYBENZOIC ACID,2,4-
GPVDHNVGGIAOQT-UHFFFAOYSA-NInChI=1/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,112.4-dimethoxybenzoic acidMFCD00002434NSC 63162,4 dimethoxybenzoic acid2, 4-dimethoxybenzoic acid2,4-di-methoxybenzoic acid

Database identifiers

CAS
91-52-1
PubChem CID
7052
DTXSID
DTXSID1059026
ChEMBL
CHEMBL463921
UNII
5699CY3NQJ
EC Number
202-074-1
Nikkaji
J181.464H

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
13

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
107 · 107-109 °C (lit.)
Boiling point
275.56 °C · 275.56°C (rough estimate)
Density
1.2481 · 1.2481 (rough estimate)
refractive index
1.45 · 1.4500 (estimate)
storage temp.
Sealed in dry,Room Temperature
form
Powder

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.8%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzoic acid, 2,4-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29189090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 2,4-dimethoxy-: ACTIVE
Applications · 1 item

UsesYttrium and heavy lanthanide complexes is synthesised with 2, 4-dimethoxybenzoic acid and thermal and spectral features is studied. In the case of the electron-rich aromatic system 2,4-dimethoxybenzoic acid reduction of the intermediate HOBt ester is slow, and good.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

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Linked notes

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