diethyl sec-butylmalonate
diethyl sec-butylmalonate structure
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Common Name | diethyl sec-butylmalonate | ||
|---|---|---|---|---|
| CAS Number | 83-27-2 | Molecular Weight | 216.27400 | |
| Density | 0,98 g/cm3 | Boiling Point | 110-114°C 18mm | |
| Molecular Formula | C11H20O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 110-114°C/18mm | |
Summary: Diethyl 2-(sec-butyl)malonate (Chinese name: 仲丁基丙二酸二乙酯, CAS number: 83-27-2), with molecular formula C11H20O4 and molecular weight 216.27400, is a colorless to almost colorless transparent liquid. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Diethyl 2-(sec-butyl)malonate |
|---|---|
| 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 | 0,98 g/cm3 |
|---|---|
| Boiling Point | 110-114°C 18mm |
| Molecular Formula | C11H20O4 |
| Molecular Weight | 216.27400 |
| Flash Point | 110-114°C/18mm |
| Exact Mass | 216.13600 |
| PSA | 52.60000 |
| LogP | 1.77490 |
| Index of Refraction | 1.431 |
| InChIKey | MIIZSUOEOUHAIZ-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(C(=O)OCC)C(C)CC |
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.
| Safety Phrases | S24/25 |
|---|---|
| HS Code | 2917190090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2917190090 |
|---|---|
| Summary | 2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00015194 |
| EINECS 201-463-3 |
| diethyl 2-butan-2-ylpropanedioate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of Diethyl 2-(sec-butyl)malonate? |
| A: Polar surface area (PSA) of Diethyl 2-(sec-butyl)malonate is 52.60000. |
| Q: What is the molecular formula of Diethyl 2-(sec-butyl)malonate? |
| A: Molecular formula of Diethyl 2-(sec-butyl)malonate is C11H20O4. |
| Q: What is the LogP of Diethyl 2-(sec-butyl)malonate? |
| A: LogP of Diethyl 2-(sec-butyl)malonate is 1.77490. |
| Q: What is the safety information for Diethyl 2-(sec-butyl)malonate? |
| A: Safety information for Diethyl 2-(sec-butyl)malonate: S24/25. |
| Q: What is the English name of Diethyl 2-(sec-butyl)malonate? |
| A: The English name of Diethyl 2-(sec-butyl)malonate is Diethyl 2-(sec-butyl)malonate. |
| Q: What is the CAS number of Diethyl 2-(sec-butyl)malonate? |
| A: CAS number of Diethyl 2-(sec-butyl)malonate is 83-27-2. |
| Q: What is the molecular weight of Diethyl 2-(sec-butyl)malonate? |
| A: Molecular weight of Diethyl 2-(sec-butyl)malonate is 216.27400. |
| Q: What is the InChIKey of Diethyl 2-(sec-butyl)malonate? |
| A: InChIKey of Diethyl 2-(sec-butyl)malonate is MIIZSUOEOUHAIZ-UHFFFAOYSA-N. |
| Q: What English synonyms does Diethyl 2-(sec-butyl)malonate have? |
| A: English synonyms of Diethyl 2-(sec-butyl)malonate: MFCD00015194, EINECS 201-463-3, diethyl 2-butan-2-ylpropanedioate. |
| Q: What is the SMILES notation of Diethyl 2-(sec-butyl)malonate? |
| A: SMILES notation of Diethyl 2-(sec-butyl)malonate is CCOC(=O)C(C(=O)OCC)C(C)CC. |
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. |