methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate
![methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate Structure](https://image.chemsrc.com/caspic/116/42038-75-5.png)
methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate structure
|
Common Name | methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate | ||
|---|---|---|---|---|
| CAS Number | 42038-75-5 | Molecular Weight | 240.296 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 378.4±42.0 °C at 760 mmHg | |
| Molecular Formula | C13H20O4 | Melting Point | 59-62ºC | |
| MSDS | USA | Flash Point | 138.9±21.4 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate |
|---|---|
| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 378.4±42.0 °C at 760 mmHg |
| Melting Point | 59-62ºC |
| Molecular Formula | C13H20O4 |
| Molecular Weight | 240.296 |
| Flash Point | 138.9±21.4 °C |
| Exact Mass | 240.136154 |
| PSA | 63.60000 |
| LogP | 0.65 |
| Vapour Pressure | 0.0±1.9 mmHg at 25°C |
| Index of Refraction | 1.504 |
| InChIKey | PQKUWAVOSCVDCT-LLVKDONJSA-N |
| SMILES | COC(=O)CCCCCCC1=CC(O)CC1=O |
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.
| RIDADR | NONH for all modes of transport |
|---|---|
| WGK Germany | 3 |
| HS Code | 2918990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~41%
methyl 7-[(3S)-... CAS#:42038-75-5
Learn More
|
| Literature: Rodriguez, Ana; Nomen, Miguel; Spur, Bernd Werner; Godfroid, Jean-Jacques European Journal of Organic Chemistry, 1999 , # 10 p. 2655 - 2662 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 4 | |
CAS#:41138-61-8
CAS#:745-65-3
CAS#:308103-47-1
CAS#:118456-54-5This 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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| q134 |
| Methyl 7-[(3S)-3-hydroxy-5-oxo-1-cyclopenten-1-yl]heptanoate |
| unii-ajc415l6rx |
| MFCD00799562 |
| Methyl 7-[(3S)-3-hydroxy-5-oxocyclopent-1-en-1-yl]heptanoate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate? |
| A: Related upstream materials(CAS) of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate: 108-05-4;40098-26-8. |
| Q: What is the melting point of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate? |
| A: Melting point of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate is 59-62ºC. |
| Q: What is the InChIKey of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate? |
| A: InChIKey of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate is PQKUWAVOSCVDCT-LLVKDONJSA-N. |
| Q: What is the polar surface area (PSA) of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate? |
| A: Polar surface area (PSA) of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate is 63.60000. |
| Q: What is the SMILES notation of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate? |
| A: SMILES notation of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate is COC(=O)CCCCCCC1=CC(O)CC1=O. |
| Q: What is the LogP of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate? |
| A: LogP of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate is 0.65. |
| Q: What is the molecular formula of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate? |
| A: Molecular formula of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate is C13H20O4. |
| Q: What English synonyms does methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate have? |
| A: English synonyms of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate: q134, Methyl 7-[(3S)-3-hydroxy-5-oxo-1-cyclopenten-1-yl]heptanoate, unii-ajc415l6rx, MFCD00799562, Methyl 7-[(3S)-3-hydroxy-5-oxocyclopent-1-en-1-yl]heptanoate. |
| Q: What is the English name of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate? |
| A: The English name of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate is methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate. |
| Q: What is the CAS number of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate? |
| A: CAS number of methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate is 42038-75-5. |