5-heptylresorcinol
5-heptylresorcinol structure
|
Common Name | 5-heptylresorcinol | ||
|---|---|---|---|---|
| CAS Number | 500-67-4 | Molecular Weight | 208.29700 | |
| Density | 1.033 g/cm3 | Boiling Point | 342.3ºC at 760 mmHg | |
| Molecular Formula | C13H20O2 | 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 | 5-heptylbenzene-1,3-diol |
|---|---|
| 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.
| Density | 1.033 g/cm3 |
|---|---|
| Boiling Point | 342.3ºC at 760 mmHg |
| Molecular Formula | C13H20O2 |
| Molecular Weight | 208.29700 |
| Exact Mass | 208.14600 |
| PSA | 40.46000 |
| LogP | 3.61070 |
| Index of Refraction | 1.534 |
| InChIKey | QENPJKGENOZEEJ-UHFFFAOYSA-N |
| SMILES | CCCCCCCc1cc(O)cc(O)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2907299090 |
|---|
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 6 | |
|---|---|
| DownStream 1 | |
CAS#:6121-64-8
CAS#:628-71-7
CAS#:83-30-7
CAS#:137571-73-4![7-(benzyloxy)-2,2-dimethyl-5-[(trifluoromethyl)sulfonyl]-4H-1,3-benzodioxin-4-one Structure](https://image.chemsrc.com/caspic/478/137571-75-6.png)
CAS#:137571-75-6
CAS#:23815-39-6
CAS#:124-07-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2907299090 |
|---|---|
| Summary | 2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: USP8 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 8
External Id: USP8 FAST DUB HTS Primary
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Name: USP17 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 17 like family member 5
External Id: USP17 FAST DUB HTS Primary
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Name: USP7 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 7
External Id: USP7 FAST DUB HTS Primary
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|
Name: Discovering small molecule activators of G protein-gated inwardly-rectifying potassiu...
Source: 15621
Target: G protein-activated inward rectifier potassium channel 2
External Id: VANDERBILT_HTS_GIRK2_MPD
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Name: USP30 deubiquitinase inhibition: Dose-response Confirmation
Source: 24642
Target: ubiquitin specific peptidase 30
External Id: USP30 FAST DUB HTS Confirmation
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Name: USP17 deubiquitinase inhibition: Dose-response Confirmation
Source: 24642
Target: ubiquitin specific peptidase 17 like family member 5
External Id: USP17 FAST DUB HTS Confirmation
|
|
Name: USP28 deubiquitinase inhibition: Dose-response Confirmation
Source: 24642
Target: ubiquitin specific peptidase 28
External Id: USP28 FAST DUB HTS Confirmation
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Name: OTUD3 deubiquitinase inhibition: Dose-response Confirmation
Source: 24642
Target: OTU deubiquitinase 3
External Id: OTUD3 FAST DUB HTS Confirmation
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Name: USP28 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 28
External Id: USP28 FAST DUB HTS Primary
|
|
Name: USP10 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 10
External Id: USP10 FAST DUB HTS Primary
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| sphaerophorol |
| 5-heptyl-benzene-1,3-diol |
| 3.5-Dihydroxy-1-heptyl-benzol |
| 5-n-heptyl resorcinol |
| EINECS 207-909-3 |
| 1,3-Benzenediol,5-heptyl |
| 5-Heptylresorcinol |
| sphaeropherol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 5-heptylbenzene-1,3-diol? |
| A: InChIKey of 5-heptylbenzene-1,3-diol is QENPJKGENOZEEJ-UHFFFAOYSA-N. |
| Q: What is the boiling point of 5-heptylbenzene-1,3-diol? |
| A: Boiling point of 5-heptylbenzene-1,3-diol is 342.3ºC at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 5-heptylbenzene-1,3-diol? |
| A: Polar surface area (PSA) of 5-heptylbenzene-1,3-diol is 40.46000. |
| Q: What is the English name of 5-heptylbenzene-1,3-diol? |
| A: The English name of 5-heptylbenzene-1,3-diol is 5-heptylbenzene-1,3-diol. |
| Q: What is the molecular weight of 5-heptylbenzene-1,3-diol? |
| A: Molecular weight of 5-heptylbenzene-1,3-diol is 208.29700. |
| Q: What is the molecular formula of 5-heptylbenzene-1,3-diol? |
| A: Molecular formula of 5-heptylbenzene-1,3-diol is C13H20O2. |
| Q: What English synonyms does 5-heptylbenzene-1,3-diol have? |
| A: English synonyms of 5-heptylbenzene-1,3-diol: sphaerophorol, 5-heptyl-benzene-1,3-diol, 3.5-Dihydroxy-1-heptyl-benzol, 5-n-heptyl resorcinol, EINECS 207-909-3, 1,3-Benzenediol,5-heptyl, 5-Heptylresorcinol, sphaeropherol. |
| Q: What is the SMILES notation of 5-heptylbenzene-1,3-diol? |
| A: SMILES notation of 5-heptylbenzene-1,3-diol is CCCCCCCc1cc(O)cc(O)c1. |
| Q: What are the downstream products of 5-heptylbenzene-1,3-diol? |
| A: Related downstream products(CAS) of 5-heptylbenzene-1,3-diol: 124-07-2. |
| Q: What is the LogP of 5-heptylbenzene-1,3-diol? |
| A: LogP of 5-heptylbenzene-1,3-diol is 3.61070. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |