2-Octyl cyanoacetate
2-Octyl cyanoacetate structure
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Common Name | 2-Octyl cyanoacetate | ||
|---|---|---|---|---|
| CAS Number | 52688-08-1 | Molecular Weight | 197.274 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 241.4±8.0 °C at 760 mmHg | |
| Molecular Formula | C11H19NO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 105.4±5.2 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Cyanoacetic acid 1-methylheptyl ester |
|---|---|
| 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 | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 241.4±8.0 °C at 760 mmHg |
| Molecular Formula | C11H19NO2 |
| Molecular Weight | 197.274 |
| Flash Point | 105.4±5.2 °C |
| Exact Mass | 197.141586 |
| PSA | 50.09000 |
| LogP | 3.07 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.440 |
| InChIKey | UHQCFCZBVFECRZ-UHFFFAOYSA-N |
| SMILES | CCCCCCC(C)OC(=O)CC#N |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2926909090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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2-Octyl cyanoacetate CAS#:52688-08-1 |
| Literature: LOCTITE (R and D) LIMITED Patent: WO2008/50313 A1, 2008 ; Location in patent: Page/Page column 32 ; |
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 | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| NC1VOY6&1 |
| 2-Octyl cyanoacetate |
| Cyanoacetic acid isooctyl ester |
| Cyanoacetic acid 1-methylheptyl ester |
| Octan-2-yl 2-cyanoacetate |
| Acetic acid, 2-cyano-, 1-methylheptyl ester |
| 1-Methylheptyl cyanoacetate |
| 2-Octanyl cyanoacetate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of Cyanoacetic acid 1-methylheptyl ester? |
| A: SMILES notation of Cyanoacetic acid 1-methylheptyl ester is CCCCCCC(C)OC(=O)CC#N. |
| Q: What is the molecular formula of Cyanoacetic acid 1-methylheptyl ester? |
| A: Molecular formula of Cyanoacetic acid 1-methylheptyl ester is C11H19NO2. |
| Q: What is the CAS number of Cyanoacetic acid 1-methylheptyl ester? |
| A: CAS number of Cyanoacetic acid 1-methylheptyl ester is 52688-08-1. |
| Q: What is the LogP of Cyanoacetic acid 1-methylheptyl ester? |
| A: LogP of Cyanoacetic acid 1-methylheptyl ester is 3.07. |
| Q: What English synonyms does Cyanoacetic acid 1-methylheptyl ester have? |
| A: English synonyms of Cyanoacetic acid 1-methylheptyl ester: NC1VOY6&1, 2-Octyl cyanoacetate, Cyanoacetic acid isooctyl ester, Cyanoacetic acid 1-methylheptyl ester, Octan-2-yl 2-cyanoacetate, Acetic acid, 2-cyano-, 1-methylheptyl ester, 1-Methylheptyl cyanoacetate, 2-Octanyl cyanoacetate. |
| Q: What is the InChIKey of Cyanoacetic acid 1-methylheptyl ester? |
| A: InChIKey of Cyanoacetic acid 1-methylheptyl ester is UHQCFCZBVFECRZ-UHFFFAOYSA-N. |
| Q: What are the upstream materials of Cyanoacetic acid 1-methylheptyl ester? |
| A: Related upstream materials(CAS) of Cyanoacetic acid 1-methylheptyl ester: 4128-31-8;372-09-8. |
| Q: What is the polar surface area (PSA) of Cyanoacetic acid 1-methylheptyl ester? |
| A: Polar surface area (PSA) of Cyanoacetic acid 1-methylheptyl ester is 50.09000. |
| Q: What is the boiling point of Cyanoacetic acid 1-methylheptyl ester? |
| A: Boiling point of Cyanoacetic acid 1-methylheptyl ester is 241.4±8.0 °C at 760 mmHg. |
| Q: What is the English name of Cyanoacetic acid 1-methylheptyl ester? |
| A: The English name of Cyanoacetic acid 1-methylheptyl ester is Cyanoacetic acid 1-methylheptyl ester. |
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. |
| Henan Tianfu Chemical Co., Ltd. |