Basic information
- CAS
518-90-1- Standard SMILES
COc1ccc(C(=O)O)c(C(=O)O)c1OC- InChIKey
QSWJYWSRUJSAFH-UHFFFAOYSA-N- Molecular formula
- C10H10O6
- Average molar mass
- 226.18 g/mol
- Monoisotopic mass
- 226.04773803
Overview
3,4-Dimethoxy-1,2-benzenedicarboxylic acid is a methoxybenzoic acid.
Names & identifiers
- Preferred name
- Hemipic acid
- IUPAC
- 3,4-dimethoxyphthalic acid
- English name
- 3,4-dimethoxyphthalic acid
- Molecular formula
- C10H10O6
- Molecular weight
- 226.18
Names & synonyms
3,4-Dimethoxyphthalic acid518-90-1Hemipic acid3,4-Dimethoxy-1,2-benzenedicarboxylic acid3,4-DIMETHOXYBENZENE-1,2-DICARBOXYLIC ACIDGF46H3Q77TEINECS 208-259-3NSC-1345341,2-Benzenedicarboxylic acid, 3,4-dimethoxy-DTXSID30199739NSC 134534PHTHALIC ACID, 3,4-DIMETHOXY-
Show more names
RefChem:783513DTXCID40122230208-259-3Hemipinic acidHemipinsaureUNII-GF46H3Q77TOprea1_748262SCHEMBL582414
Database identifiers
- CAS
518-90-1- PubChem CID
- 68209
- DTXSID
DTXSID30199739- ChEBI
CHEBI:174163- UNII
- GF46H3Q77T
- EC Number
- 208-259-3
- Nikkaji
- J6.589G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point181 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 177 · 177-178.5 °C(Solv: water (7732-18-5))
- Boiling point
- 396.2 · 396.2±42.0 °C(Predicted)
- Density
- 1.391 · 1.391±0.06 g/cm3(Predicted)
- pka
- 3.02 · 3.02±0.10(Predicted)
- FDA UNII
- 46 H3Q77T · GF46H3Q77T
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2A (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Upstream & downstream products
Upstream raw materials
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: 3,4-Dimethoxy-1,2-benzenedicarboxylic acid is a methoxybenzoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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