methyl 3-hydroxy-2,2,4-trimethylpentanoate
methyl 3-hydroxy-2,2,4-trimethylpentanoate structure
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Common Name | methyl 3-hydroxy-2,2,4-trimethylpentanoate | ||
|---|---|---|---|---|
| CAS Number | 67498-08-2 | Molecular Weight | 174.23700 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C9H18O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: Methyl 3-hydroxy-2,2,4-trimethylpentanoate, CAS号67498-08-2, molecular formula C9H18O3, molecular weight 174.23700. 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 | methyl 3-hydroxy-2,2,4-trimethylpentanoate |
|---|---|
| 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.
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.23700 |
| Exact Mass | 174.12600 |
| PSA | 46.53000 |
| LogP | 1.20250 |
| InChIKey | SDBXRSQBXAOFRK-UHFFFAOYSA-N |
| SMILES | COC(=O)C(C)(C)C(O)C(C)C |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~99%
methyl 3-hydrox... CAS#:67498-08-2 |
| Literature: E. I. Du Pont de Nemours and Company Patent: US4448980 A1, 1984 ; |
|
~83%
methyl 3-hydrox... CAS#:67498-08-2 |
| Literature: Ranu, Brindaban C.; Saha, Manika; Bhar, Sanjay Synthetic Communications, 1997 , vol. 27, # 17 p. 3065 - 3077 |
|
~94%
methyl 3-hydrox... CAS#:67498-08-2 |
| Literature: Wessjohann, Ludger; Gabriel, Tobias Journal of Organic Chemistry, 1997 , vol. 62, # 11 p. 3772 - 3774 |
|
~%
methyl 3-hydrox... CAS#:67498-08-2 |
| Literature: Ranu, Brindaban C.; Saha, Manika; Bhar, Sanjay Synthetic Communications, 1997 , vol. 27, # 17 p. 3065 - 3077 |
|
~%
methyl 3-hydrox... CAS#:67498-08-2 |
| Literature: Aben,R.W.; Scheeren,J.W. Synthesis, 1978 , p. 400 - 402 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| methyl 2,2,4-trimethyl-3-hydroxyvalerate |
| Pentanoic acid,3-hydroxy-2,2,4-trimethyl-,methyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of methyl 3-hydroxy-2,2,4-trimethylpentanoate? |
| A: CAS number of methyl 3-hydroxy-2,2,4-trimethylpentanoate is 67498-08-2. |
| Q: What is the molecular weight of methyl 3-hydroxy-2,2,4-trimethylpentanoate? |
| A: Molecular weight of methyl 3-hydroxy-2,2,4-trimethylpentanoate is 174.23700. |
| Q: What is the Chinese name of 67498-08-2? |
| A: Chinese name of 67498-08-2 is 67498-08-2. |
| Q: What is the SMILES notation of methyl 3-hydroxy-2,2,4-trimethylpentanoate? |
| A: SMILES notation of methyl 3-hydroxy-2,2,4-trimethylpentanoate is COC(=O)C(C)(C)C(O)C(C)C. |
| Q: What is the LogP of methyl 3-hydroxy-2,2,4-trimethylpentanoate? |
| A: LogP of methyl 3-hydroxy-2,2,4-trimethylpentanoate is 1.20250. |
| Q: What is the molecular formula of methyl 3-hydroxy-2,2,4-trimethylpentanoate? |
| A: Molecular formula of methyl 3-hydroxy-2,2,4-trimethylpentanoate is C9H18O3. |
| Q: What are the upstream materials of methyl 3-hydroxy-2,2,4-trimethylpentanoate? |
| A: Related upstream materials(CAS) of methyl 3-hydroxy-2,2,4-trimethylpentanoate: 31469-15-5;78-84-2;23426-63-3;547-63-7;5634-54-8. |
| Q: What is the polar surface area (PSA) of methyl 3-hydroxy-2,2,4-trimethylpentanoate? |
| A: Polar surface area (PSA) of methyl 3-hydroxy-2,2,4-trimethylpentanoate is 46.53000. |
| Q: What is the InChIKey of methyl 3-hydroxy-2,2,4-trimethylpentanoate? |
| A: InChIKey of methyl 3-hydroxy-2,2,4-trimethylpentanoate is SDBXRSQBXAOFRK-UHFFFAOYSA-N. |
| Q: What English synonyms does methyl 3-hydroxy-2,2,4-trimethylpentanoate have? |
| A: English synonyms of methyl 3-hydroxy-2,2,4-trimethylpentanoate: methyl 2,2,4-trimethyl-3-hydroxyvalerate, Pentanoic acid,3-hydroxy-2,2,4-trimethyl-,methyl ester. |