Basic information
- CAS
3934-86-9- Standard SMILES
COC(=O)c1cc(O)c(O)c(OC)c1- InChIKey
LVVUKXKEXOTUPV-UHFFFAOYSA-N- Molecular formula
- C9H10O5
- Average molar mass
- 198.17 g/mol
- Monoisotopic mass
- 198.05282342
Overview
M3OMG has been reported in Acer rubrum and Crinodendron hookerianum with data available.
Names & identifiers
- Preferred name
- m3OMG
- IUPAC
- methyl 3,4-dihydroxy-5-methoxybenzoate
- English name
- 3,4-Dihydroxy-5-methoxybenzoic acid methyl ester
- Molecular formula
- C9H10O5
- Molecular weight
- 198.17
Names & synonyms
3934-86-9methyl 3,4-dihydroxy-5-methoxybenzoateM3OMGMethyl 3-O-methylgallateMethyl 3-O-methyl gallateMethyl 3-methoxy-4,5-dihydroxybenzoate8FIX3OQ9G8UNII-8FIX3OQ9G8NSC 251664NSC-251664DTXSID701925623-METHOXY-4,5-DIHYDROXYBENZOIC ACID METHYL ESTER
Show more names
Bifendate-005Tryptophan-007RARECHEM AL BF 0702Bifendate Impurity 13Bicyclic alcohol impurity 6Methyl 3-O-methylgallate, 10 mM in DMSO
METHYL 4,5-DIHYDROXY-3-METHOXYBENZOATEPROTOCATECHUIC ACID, 5-METHOXY-, METHYL ESTERRefChem:154903DTXCID10115053Methyl 3,4-dihydroxy-5-methoxybenzoic acid3,4-Dihydroxy-5-methoxybenzoic acid methyl esterMFCD00183269Benzoic acid, 3,4-dihydroxy-5-methoxy-, methyl ester
Database identifiers
- CAS
3934-86-9- PubChem CID
- 99622
- DTXSID
DTXSID70192562- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 112 · 112-113 °C
- Boiling point
- 391.7 · 391.7±37.0 °C(Predicted)
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 8.21 · 8.21±0.23(Predicted)
- form
- Solid
- color
- Off-white to yellow
- FDA UNII
- 8 FIX3OQ9G8 · 8FIX3OQ9G8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2918999090 · 2918999090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 3,4-dihydroxy-5-methoxybenzoate is used as intermediates of biphenyl diesters.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers51 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Related reactions
56 records
Compound notes
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