Trimethylgallic acid structure
|
Common Name | Trimethylgallic acid | ||
|---|---|---|---|---|
| CAS Number | 118-41-2 | Molecular Weight | 212.199 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 376.3±0.0 °C at 760 mmHg | |
| Molecular Formula | C10H12O5 | Melting Point | 168-171 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 128.8±20.0 °C | |
Use of Trimethylgallic acid3,4,5-Trimethoxybenzoic acid (Eudesmic acid;Trimethylgallic Acid) is a benzoic acid derivative. A building block in medicine and organic synthesis. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3,4,5-Trimethoxybenzoic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 3,4,5-Trimethoxybenzoic acid (Eudesmic acid;Trimethylgallic Acid) is a benzoic acid derivative. A building block in medicine and organic synthesis. |
|---|---|
| Related Catalog |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 376.3±0.0 °C at 760 mmHg |
| Melting Point | 168-171 °C(lit.) |
| Molecular Formula | C10H12O5 |
| Molecular Weight | 212.199 |
| Flash Point | 128.8±20.0 °C |
| Exact Mass | 212.068466 |
| PSA | 64.99000 |
| LogP | 1.90 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.524 |
| InChIKey | SJSOFNCYXJUNBT-UHFFFAOYSA-N |
| SMILES | COc1cc(C(=O)O)cc(OC)c1OC |
| Water Solubility | SLIGHTLY SOLUBLE |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
|---|---|
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 1 |
| HS Code | 29189090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918990090 |
|---|---|
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
|
Structure-Activity Relationships of Antimicrobial Gallic Acid Derivatives from Pomegranate and Acacia Fruit Extracts against Potato Bacterial Wilt Pathogen.
Chem. Biodivers. 12 , 955-62, (2015) Bacterial wilts of potato, tomato, pepper, and or eggplant caused by Ralstonia solanacearum are among the most serious plant diseases worldwide. In this study, the issue of developing bactericidal age... |
|
|
Relation between lipophilicity of alkyl gallates and antifungal activity against yeasts and filamentous fungi.
Bioorg. Med. Chem. Lett. 19 , 1793-6, (2009) The antifungal activity of a complete series of 15 n-alkyl gallates and six analogues acting against a representative panel of opportunistic pathogenic fungi was studied in order to analyze their role... |
|
|
(-) Epigallocatechin-3-gallate attenuates reserpine-induced orofacial dyskinesia and oxidative stress in rat striatum.
Pharmacol. Biochem. Behav. 131 , 71-6, (2015) Reserpine-induced orofacial dyskinesia (OD) has been used for decades as an animal model for human tardive dyskinesia (TD) because both of them have pathophysiology strongly associated with striatal o... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
|
|
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
|
|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
|
|
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
|
|
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
|
|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
|
|
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
|
|
Name: uHTS identification of small molecule modulators of NR3A
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1015-NR3A-Primary-Assay
|
|
Name: uHTS identification of small molecule modulators of Rev-erb Alpha.
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1016-RevErbaLBD-Primary-Assay
|
|
Name: MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Activator_SinglePoint...
Source: Broad Institute
Target: N/A
External Id: 2084-01_Activator_SinglePoint_HTS_Activity
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3,4,5-Trimethoxybenzoic acid |
| 3,4,5-Trimethoxy-benzoic acid |
| Eudesmic acid |
| Gallic acid trimethyl ether |
| EINECS 204-248-2 |
| MFCD00002501 |
| Tri-O-methylgallic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 3,4,5-Trimethoxybenzoic acid? |
| A: Polar surface area (PSA) of 3,4,5-Trimethoxybenzoic acid is 64.99000. |
| Q: What is the SMILES notation of 3,4,5-Trimethoxybenzoic acid? |
| A: SMILES notation of 3,4,5-Trimethoxybenzoic acid is COc1cc(C(=O)O)cc(OC)c1OC. |
| Q: What are the uses of 3,4,5-Trimethoxybenzoic acid? |
| A: Main uses of 3,4,5-Trimethoxybenzoic acid: 3,4,5-Trimethoxybenzoic acid (Eudesmic acid;Trimethylgallic Acid) is a benzoic acid derivative. A building block in medicine and organic synthesis. |
| Q: What is the English name of 3,4,5-Trimethoxybenzoic acid? |
| A: The English name of 3,4,5-Trimethoxybenzoic acid is 3,4,5-Trimethoxybenzoic acid. |
| Q: What is the boiling point of 3,4,5-Trimethoxybenzoic acid? |
| A: Boiling point of 3,4,5-Trimethoxybenzoic acid is 376.3±0.0 °C at 760 mmHg. |
| Q: How is the water solubility of 3,4,5-Trimethoxybenzoic acid? |
| A: Water solubility of 3,4,5-Trimethoxybenzoic acid: SLIGHTLY SOLUBLE. |
| Q: What English synonyms does 3,4,5-Trimethoxybenzoic acid have? |
| A: English synonyms of 3,4,5-Trimethoxybenzoic acid: 3,4,5-Trimethoxybenzoic acid, 3,4,5-Trimethoxy-benzoic acid, Eudesmic acid, Gallic acid trimethyl ether, EINECS 204-248-2, MFCD00002501, Tri-O-methylgallic acid. |
| Q: What are the upstream materials of 3,4,5-Trimethoxybenzoic acid? |
| A: Related upstream materials(CAS) of 3,4,5-Trimethoxybenzoic acid: 3840-31-1;86-81-7;201230-82-2;143287-98-3;1916-07-0;149-91-7;77-78-1;211429-78-6;75-91-2;188493-61-0. |
| Q: What is the molecular weight of 3,4,5-Trimethoxybenzoic acid? |
| A: Molecular weight of 3,4,5-Trimethoxybenzoic acid is 212.199. |
| Q: What is the LogP of 3,4,5-Trimethoxybenzoic acid? |
| A: LogP of 3,4,5-Trimethoxybenzoic acid is 1.90. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| naturewill |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |