4-O-methylgallic acid

HCID 78016
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
4319-02-2
Standard SMILES
COc1c(O)cc(C(=O)O)cc1O
InChIKey
UBXDWYFLYYJQFR-UHFFFAOYSA-N
Molecular formula
C8H8O5
Average molar mass
184.15 g/mol
Monoisotopic mass
184.03717335

Names & identifiers

Preferred name
4-O-methylgallic acid
IUPAC
3,5-dihydroxy-4-methoxybenzoic acid
English name
3,5-Dihydroxy-4-methoxybenzoic acid
Molecular formula
C8H8O5
Molecular weight
184.15

Names & synonyms

3,5-Dihydroxy-4-methoxybenzoic acid4319-02-24-O-Methylgallic acidBenzoic acid, 3,5-dihydroxy-4-methoxy-0XW32QVU6JDTXSID8063412RefChem:91534DTXCID1040245224-346-95-Hydroxyisovanillic acid4-Methoxy-3,5-dihydroxybenzoic acid3,5-Dihydroxy-4-methoxy-benzoic acid
Show more names
4-O-METHYL GALLIC ACIDAcotiamide Impurity 963,5-DIHYDROXYANISIC ACIDHYDROXYISOVANILLIC ACID,5-
3,5-Dihydroxy-p-anisic acid3,5-DIHYDROXY-4-METHOXYBENZOICACIDMFCD000165214-O-methyl-gallate4-OMGAUNII-0XW32QVU6JSCHEMBL793706CHEMBL118992

Database identifiers

CAS
4319-02-2
PubChem CID
78016
DTXSID
DTXSID8063412
ChEMBL
CHEMBL118992
ChEBI
CHEBI:88738
UNII
0XW32QVU6J
EC Number
224-346-9
Nikkaji
J205.704B

Properties

Computed structural properties

XLogP
1
Topological polar surface area
87 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
13

Experimental & physicochemical properties

Physical DescriptionSolid

Physicochemical properties

Melting point
245 °C · 245 °C
Boiling point
423.4 · 423.4±45.0 °C(Predicted)
Density
1.499 · 1.499±0.06 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H312-H332
Precautionary statements
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 3,5-dihydroxy-4-methoxy-: INACTIVE

Applications

Uses3,5-Dihydroxy-4-methoxybenzoic Acid is a useful building block in organic synthesis.

Suppliers40 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]

Additional notes

DefinitionChEBI: 4-O-Methylgallic acid is a trihydroxybenzoic acid.

Related reactions

2 records
New reaction record

Compound notes

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