pentyl 3,4,5-trihydroxybenzoate
pentyl 3,4,5-trihydroxybenzoate structure
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Common Name | pentyl 3,4,5-trihydroxybenzoate | ||
|---|---|---|---|---|
| CAS Number | 4568-93-8 | Molecular Weight | 240.25200 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C12H16O5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | pentyl 3,4,5-trihydroxybenzoate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C12H16O5 |
|---|---|
| Molecular Weight | 240.25200 |
| Exact Mass | 240.10000 |
| PSA | 86.99000 |
| LogP | 2.15040 |
| InChIKey | IIOADSXXVWNOSC-UHFFFAOYSA-N |
| SMILES | CCCCCOC(=O)c1cc(O)c(O)c(O)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2918290000 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~69%
pentyl 3,4,5-tr... CAS#:4568-93-8 |
| Literature: Savi, Luciane A.; Leal, Paulo C.; Vieira, Tiago O.; Rosso, Rober; Nunes, Ricardo J.; Yunes, Rosendo A.; Creczynski-Pasa, Tania B.; Barardi, Celia R. M.; Simoes, Claudia Maria Oliveira Arzneimittel-Forschung/Drug Research, 2005 , vol. 55, # 1 p. 66 - 75 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918290000 |
|---|---|
| Summary | HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% 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: Antiviral activity against feline herpesvirus
Source: ChEMBL
Target: Felid alphaherpesvirus 1
External Id: CHEMBL3412331
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Name: Antiviral activity against chikungunya virus
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL3412332
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Name: Antiviral activity against vesicular stomatitis virus
Source: ChEMBL
Target: Vesicular stomatitis virus
External Id: CHEMBL3412321
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Name: Antiviral activity against human coxsackievirus B4
Source: ChEMBL
Target: Coxsackievirus B4
External Id: CHEMBL3412322
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Name: Antiviral activity against vaccinia virus
Source: ChEMBL
Target: Vaccinia virus
External Id: CHEMBL3412320
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Name: Antiviral activity against reovirus
Source: ChEMBL
Target: Reovirus sp.
External Id: CHEMBL3412325
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Name: Antiviral activity against sindbis virus
Source: ChEMBL
Target: Sindbis virus
External Id: CHEMBL3412326
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Name: Antiviral activity against RSV
Source: ChEMBL
Target: Respiratory syncytial virus
External Id: CHEMBL3412323
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Name: Antiviral activity against human parainfluenza virus 3
Source: ChEMBL
Target: Human respirovirus 3
External Id: CHEMBL3412324
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3,4,5-trihydroxy-benzoic acid pentyl ester |
| Benzoic acid,3,4,5-trihydroxy-,pentyl ester |
| Amyl gallate |
| n-pentyl gallate |
| Gallussaeure-pentylester |
| 3,4,5-Trihydroxy-benzoesaeure-pentylester |
| pentyl gallate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does pentyl 3,4,5-trihydroxybenzoate have? |
| A: English synonyms of pentyl 3,4,5-trihydroxybenzoate: 3,4,5-trihydroxy-benzoic acid pentyl ester, Benzoic acid,3,4,5-trihydroxy-,pentyl ester, Amyl gallate, n-pentyl gallate, Gallussaeure-pentylester, 3,4,5-Trihydroxy-benzoesaeure-pentylester, pentyl gallate. |
| Q: What is the English name of pentyl 3,4,5-trihydroxybenzoate? |
| A: The English name of pentyl 3,4,5-trihydroxybenzoate is pentyl 3,4,5-trihydroxybenzoate. |
| Q: What is the SMILES notation of pentyl 3,4,5-trihydroxybenzoate? |
| A: SMILES notation of pentyl 3,4,5-trihydroxybenzoate is CCCCCOC(=O)c1cc(O)c(O)c(O)c1. |
| Q: What is the CAS number of pentyl 3,4,5-trihydroxybenzoate? |
| A: CAS number of pentyl 3,4,5-trihydroxybenzoate is 4568-93-8. |
| Q: What is the molecular weight of pentyl 3,4,5-trihydroxybenzoate? |
| A: Molecular weight of pentyl 3,4,5-trihydroxybenzoate is 240.25200. |
| Q: What are the upstream materials of pentyl 3,4,5-trihydroxybenzoate? |
| A: Related upstream materials(CAS) of pentyl 3,4,5-trihydroxybenzoate: 71-41-0;149-91-7. |
| Q: What is the molecular formula of pentyl 3,4,5-trihydroxybenzoate? |
| A: Molecular formula of pentyl 3,4,5-trihydroxybenzoate is C12H16O5. |
| Q: What is the LogP of pentyl 3,4,5-trihydroxybenzoate? |
| A: LogP of pentyl 3,4,5-trihydroxybenzoate is 2.15040. |
| Q: What is the InChIKey of pentyl 3,4,5-trihydroxybenzoate? |
| A: InChIKey of pentyl 3,4,5-trihydroxybenzoate is IIOADSXXVWNOSC-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of pentyl 3,4,5-trihydroxybenzoate? |
| A: Polar surface area (PSA) of pentyl 3,4,5-trihydroxybenzoate is 86.99000. |