Methyl 2,4-dihydroxy-6-methylbenzoate
Methyl 2,4-dihydroxy-6-methylbenzoate structure
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Common Name | Methyl 2,4-dihydroxy-6-methylbenzoate | ||
|---|---|---|---|---|
| CAS Number | 3187-58-4 | Molecular Weight | 182.173 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 339.1±22.0 °C at 760 mmHg | |
| Molecular Formula | C9H10O4 | Melting Point | 141-142℃ | |
| MSDS | N/A | Flash Point | 138.1±15.8 °C | |
Use of Methyl 2,4-dihydroxy-6-methylbenzoateMethyl orsellinate is a phytotoxic compound with antifungal activities. Methyl orsellinate is a 5-lipoxygenase inhibitor with an IC50 value of 59.6 μM. Methyl orsellinate can be used for fungal infection research[1][2]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Methyl 2,4-dihydroxy-6-methylbenzoate |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Methyl orsellinate is a phytotoxic compound with antifungal activities. Methyl orsellinate is a 5-lipoxygenase inhibitor with an IC50 value of 59.6 μM. Methyl orsellinate can be used for fungal infection research[1][2]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 339.1±22.0 °C at 760 mmHg |
| Melting Point | 141-142℃ |
| Molecular Formula | C9H10O4 |
| Molecular Weight | 182.173 |
| Flash Point | 138.1±15.8 °C |
| Exact Mass | 182.057907 |
| PSA | 66.76000 |
| LogP | 2.38 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.578 |
| InChIKey | NCCWCZLEACWJIN-UHFFFAOYSA-N |
| SMILES | COC(=O)c1c(C)cc(O)cc1O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2918199090 |
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 9 | |
|---|---|
| DownStream 10 | |
CAS#:480-64-8
CAS#:74-88-4
CAS#:105-45-3
CAS#:6110-37-8
CAS#:67-56-1
CAS#:72-89-9
CAS#:524-14-1
CAS#:674-82-8
CAS#:3002-24-2
CAS#:488-87-9
CAS#:4707-47-5
CAS#:715-33-3
CAS#:567-61-3
CAS#:3446-05-7
CAS#:33528-09-5
CAS#:34874-90-3
CAS#:34874-76-5
CAS#:3465-63-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918199090 |
|---|---|
| Summary | 2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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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
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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
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Name: ERK5 transcriptional activity HTS
Source: 24565
Target: N/A
External Id: ERK5 transcriptional activity-HTS
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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
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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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
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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
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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
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Name: Antifungal activity against Cryptococcus neoformans ATCC 90113 assessed as fungal gro...
Source: ChEMBL
Target: Cryptococcus neoformans
External Id: CHEMBL4812566
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Methyl 4,6-dihydroxy-2-methylbenzoate |
| Benzoic acid, 2,4-dihydroxy-6-methyl-, methyl ester |
| methyl 2,4-dihydroxy-5-methyl benzoate |
| orsellinic acid methyl ester |
| Methyl 2,4-dihydroxy-6-methylbenzoate |
| 2,4-Dihydroxy-6-methylbenzoic acid methyl ester |
| Benzoic acid,2,4-dihydroxy-6-methyl-,methyl ester |
| orsenillic acid |
| Methyl 2,4-dihydroxy-6-methyl benzoate |
| Methyl orsellinate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of Methyl 2,4-dihydroxy-6-methylbenzoate? |
| A: InChIKey of Methyl 2,4-dihydroxy-6-methylbenzoate is NCCWCZLEACWJIN-UHFFFAOYSA-N. |
| Q: What are the downstream products of Methyl 2,4-dihydroxy-6-methylbenzoate? |
| A: Related downstream products(CAS) of Methyl 2,4-dihydroxy-6-methylbenzoate: 488-87-9;4707-47-5;715-33-3;6110-37-8;567-61-3;3446-05-7;33528-09-5;34874-90-3;34874-76-5;3465-63-2. |
| Q: What is the LogP of Methyl 2,4-dihydroxy-6-methylbenzoate? |
| A: LogP of Methyl 2,4-dihydroxy-6-methylbenzoate is 2.38. |
| Q: What are the uses of Methyl 2,4-dihydroxy-6-methylbenzoate? |
| A: Main uses of Methyl 2,4-dihydroxy-6-methylbenzoate: Methyl orsellinate is a phytotoxic compound with antifungal activities. Methyl orsellinate is a 5-lipoxygenase inhibitor with an IC50 value of 59.6 μM. Methyl orsellinate can be used for fungal infection research[1][2]. |
| Q: What is the melting point of Methyl 2,4-dihydroxy-6-methylbenzoate? |
| A: Melting point of Methyl 2,4-dihydroxy-6-methylbenzoate is 141-142℃. |
| Q: What is the English name of Methyl 2,4-dihydroxy-6-methylbenzoate? |
| A: The English name of Methyl 2,4-dihydroxy-6-methylbenzoate is Methyl 2,4-dihydroxy-6-methylbenzoate. |
| Q: What is the SMILES notation of Methyl 2,4-dihydroxy-6-methylbenzoate? |
| A: SMILES notation of Methyl 2,4-dihydroxy-6-methylbenzoate is COC(=O)c1c(C)cc(O)cc1O. |
| Q: What English synonyms does Methyl 2,4-dihydroxy-6-methylbenzoate have? |
| A: English synonyms of Methyl 2,4-dihydroxy-6-methylbenzoate: Methyl 4,6-dihydroxy-2-methylbenzoate, Benzoic acid, 2,4-dihydroxy-6-methyl-, methyl ester, methyl 2,4-dihydroxy-5-methyl benzoate, orsellinic acid methyl ester, Methyl 2,4-dihydroxy-6-methylbenzoate, 2,4-Dihydroxy-6-methylbenzoic acid methyl ester, Benzoic acid,2,4-dihydroxy-6-methyl-,methyl ester, orsenillic acid, Methyl 2,4-dihydroxy-6-methyl benzoate, Methyl orsellinate. |
| Q: What is the boiling point of Methyl 2,4-dihydroxy-6-methylbenzoate? |
| A: Boiling point of Methyl 2,4-dihydroxy-6-methylbenzoate is 339.1±22.0 °C at 760 mmHg. |
| Q: What is the molecular formula of Methyl 2,4-dihydroxy-6-methylbenzoate? |
| A: Molecular formula of Methyl 2,4-dihydroxy-6-methylbenzoate is C9H10O4. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |
| naturewill |