2-methylacetoacetic acid
2-methylacetoacetic acid structure
|
Common Name | 2-methylacetoacetic acid | ||
|---|---|---|---|---|
| CAS Number | 2382-59-4 | Molecular Weight | 116.11500 | |
| Density | 1.125g/cm3 | Boiling Point | 227.9ºC at 760mmHg | |
| Molecular Formula | C5H8O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 105.9ºC | |
Summary: 2-methylacetoacetic acid (CAS number: 2382-59-4), molecular formula: C5H8O3, molecular weight: 116.11500. 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 | 2-methylacetoacetic acid |
|---|---|
| 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 | 1.125g/cm3 |
|---|---|
| Boiling Point | 227.9ºC at 760mmHg |
| Molecular Formula | C5H8O3 |
| Molecular Weight | 116.11500 |
| Flash Point | 105.9ºC |
| Exact Mass | 116.04700 |
| PSA | 54.37000 |
| LogP | 0.29610 |
| InChIKey | GCXJINGJZAOJHR-UHFFFAOYSA-N |
| SMILES | CC(=O)C(C)C(=O)O |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~77%
2-methylacetoac... CAS#:2382-59-4 |
| Literature: Tanaka, Mayumi; Oota, Osamu; Hiramatsu, Hideo; Fujiwara, Kazuyoshi Bulletin of the Chemical Society of Japan, 1988 , vol. 61, # 7 p. 2473 - 2480 |
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~77%
2-methylacetoac... CAS#:2382-59-4 |
| Literature: Anwar, Muhammad; Cowley, Andrew R.; Moloney, Mark G. Tetrahedron Asymmetry, 2010 , vol. 21, # 13-14 p. 1758 - 1770 |
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~%
2-methylacetoac... CAS#:2382-59-4
Learn More
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| Literature: Tirpak, Robin E.; Olsen, Richard, S.; Rathke, Michael W. Journal of Organic Chemistry, 1985 , vol. 50, # 24 p. 4877 - 4879 |
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~%
2-methylacetoac... CAS#:2382-59-4 |
| Literature: Meier, Herbert; Wengenroth, Horst; Lauer, Wolfgang; Krause, Volker Tetrahedron Letters, 1989 , vol. 30, # 39 p. 5253 - 5256 |
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~%
2-methylacetoac... CAS#:2382-59-4 |
| Literature: Brandes Zeitschrift fuer Chemie, 1866 , p. 458 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 6 | |
CAS#:87769-39-9
CAS#:68206-10-0
CAS#:4281-39-4This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (2S)-2-METHYL-3-OXO-BUTANOIC ACID |
| 2-methyl-3-oxobutanoic acid |
| (R)-2-METHYL-3-OXO-BUTANOIC ACID |
| 2-methyl-3-oxobutyric acid |
| a-Methylacetoacetic acid |
| AcCH(Me)CO2H |
| 2-Methyl-acetessigsaeure |
| 2-methyl-Acetoacetic acid |
| 2-Acetylpropionic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 2-methylacetoacetic acid? |
| A: Related downstream products(CAS) of 2-methylacetoacetic acid: 87769-39-9;78-93-3;124-38-9;68206-10-0;4281-39-4;39149-65-0. |
| Q: What is the LogP of 2-methylacetoacetic acid? |
| A: LogP of 2-methylacetoacetic acid is 0.29610. |
| Q: What is the InChIKey of 2-methylacetoacetic acid? |
| A: InChIKey of 2-methylacetoacetic acid is GCXJINGJZAOJHR-UHFFFAOYSA-N. |
| Q: What English synonyms does 2-methylacetoacetic acid have? |
| A: English synonyms of 2-methylacetoacetic acid: (2S)-2-METHYL-3-OXO-BUTANOIC ACID, 2-methyl-3-oxobutanoic acid, (R)-2-METHYL-3-OXO-BUTANOIC ACID, 2-methyl-3-oxobutyric acid, a-Methylacetoacetic acid, AcCH(Me)CO2H, 2-Methyl-acetessigsaeure, 2-methyl-Acetoacetic acid, 2-Acetylpropionic acid. |
| Q: What is the SMILES notation of 2-methylacetoacetic acid? |
| A: SMILES notation of 2-methylacetoacetic acid is CC(=O)C(C)C(=O)O. |
| Q: What is the polar surface area (PSA) of 2-methylacetoacetic acid? |
| A: Polar surface area (PSA) of 2-methylacetoacetic acid is 54.37000. |
| Q: What are the upstream materials of 2-methylacetoacetic acid? |
| A: Related upstream materials(CAS) of 2-methylacetoacetic acid: 609-14-3;39149-65-0;124-38-9;78-93-3;132723-21-8;34284-28-1;74-88-4. |
| Q: What is the molecular formula of 2-methylacetoacetic acid? |
| A: Molecular formula of 2-methylacetoacetic acid is C5H8O3. |
| Q: What is the boiling point of 2-methylacetoacetic acid? |
| A: Boiling point of 2-methylacetoacetic acid is 227.9ºC at 760mmHg. |
| Q: What is the CAS number of 2-methylacetoacetic acid? |
| A: CAS number of 2-methylacetoacetic acid is 2382-59-4. |