dibutylmalate
dibutylmalate structure
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Common Name | dibutylmalate | ||
|---|---|---|---|---|
| CAS Number | 1587-18-4 | Molecular Weight | 246.30 | |
| Density | 1.064g/cm3 | Boiling Point | 344.3ºC at 760 mmHg | |
| Molecular Formula | C12H22O5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 121.3ºC | |
Summary: dibutylmalate, Chinese name not provided, CAS number 1587-18-4, molecular formula C12H22O5, molecular weight 246.30. The boiling point is 344.3°C (760 mmHg), and the density is 1.064 g/cm³. 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 | dibutylmalate |
|---|---|
| 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 | 1.064g/cm3 |
|---|---|
| Boiling Point | 344.3ºC at 760 mmHg |
| Molecular Formula | C12H22O5 |
| Molecular Weight | 246.30 |
| Flash Point | 121.3ºC |
| Exact Mass | 246.14672380 |
| PSA | 89.49000 |
| Vapour Pressure | 4.24E-06mmHg at 25°C |
| Index of Refraction | 1.454 |
| InChIKey | PDSCSYLDRHAHOX-UHFFFAOYSA-N |
| SMILES | CCCCOC(=O)CC(C(=O)OCCCC)O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2918199090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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dibutylmalate CAS#:1587-18-4 |
| Literature: Crompton Corporation Patent: US7696136 B2, 2010 ; |
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Detail
Learn More
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| Literature: Kajjout, Mohammed; Hebting, Yanek; Albrecht, Pierre; Adam, Pierre Chemistry and Biodiversity, 2012 , vol. 9, # 4 p. 714 - 726 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918199090 |
|---|---|
| Summary | 2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Hydroxybutanedioic acid dibutyl ester |
| dibutyl ester,dibutyl malate |
| hydroxy-butanedioic acid |
| malic acid dibutyl ester |
| di-n-butyl malate |
| Aepfelsaeure-dibutylester |
| Dibutyl-DL-malat |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of dibutylmalate? |
| A: InChIKey of dibutylmalate is PDSCSYLDRHAHOX-UHFFFAOYSA-N. |
| Q: What is the boiling point of dibutylmalate? |
| A: Boiling point of dibutylmalate is 344.3ºC at 760 mmHg. |
| Q: What is the polar surface area (PSA) of dibutylmalate? |
| A: Polar surface area (PSA) of dibutylmalate is 89.49000. |
| Q: What is the Chinese name of 1587-18-4? |
| A: Chinese name of 1587-18-4 is 1587-18-4. |
| Q: What English synonyms does dibutylmalate have? |
| A: English synonyms of dibutylmalate: 2-Hydroxybutanedioic acid dibutyl ester, dibutyl ester,dibutyl malate, hydroxy-butanedioic acid, malic acid dibutyl ester, di-n-butyl malate, Aepfelsaeure-dibutylester, Dibutyl-DL-malat. |
| Q: What is the molecular weight of dibutylmalate? |
| A: Molecular weight of dibutylmalate is 246.30. |
| Q: What is the CAS number of dibutylmalate? |
| A: CAS number of dibutylmalate is 1587-18-4. |
| Q: What is the SMILES notation of dibutylmalate? |
| A: SMILES notation of dibutylmalate is CCCCOC(=O)CC(C(=O)OCCCC)O. |
| Q: What is the molecular formula of dibutylmalate? |
| A: Molecular formula of dibutylmalate is C12H22O5. |
| Q: What is the English name of dibutylmalate? |
| A: The English name of dibutylmalate is dibutylmalate. |