Dimethyl 3-hydroxypentanedioate
Dimethyl 3-hydroxypentanedioate structure
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Common Name | Dimethyl 3-hydroxypentanedioate | ||
|---|---|---|---|---|
| CAS Number | 7250-55-7 | Molecular Weight | 176.167 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 265.6±20.0 °C at 760 mmHg | |
| Molecular Formula | C7H12O5 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 103.4±15.3 °C | |
Summary: Dimethyl 3-hydroxypentanedioate, Chinese name 3-羟基戊二酸二甲酯, CAS number 7250-55-7, molecular formula C7H12O5, molecular weight 176.167. 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 | Dimethyl 3-hydroxypentanedioate |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 265.6±20.0 °C at 760 mmHg |
| Molecular Formula | C7H12O5 |
| Molecular Weight | 176.167 |
| Flash Point | 103.4±15.3 °C |
| Exact Mass | 176.068466 |
| PSA | 72.83000 |
| LogP | -0.77 |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.444 |
| InChIKey | CUPGMRSSZADEIW-UHFFFAOYSA-N |
| SMILES | COC(=O)CC(O)CC(=O)OC |
| Storage condition | Refrigerator |
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.
| Personal Protective Equipment | Eyeshields;Gloves |
|---|---|
| Safety Phrases | 23-24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2918199090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~95%
Dimethyl 3-hydr... CAS#:7250-55-7 |
| Literature: Riatto, Valeria B.; Carneiro, Maria N. M.; Carvalho, Venilia B.; Victor, Mauricio M. Journal of the Brazilian Chemical Society, 2011 , vol. 22, # 1 p. 172 - 175 |
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~89%
Dimethyl 3-hydr... CAS#:7250-55-7 |
| Literature: Remme, Nicole; Koschek, Katharina; Schneider, Christoph Synlett, 2007 , # 3 p. 491 - 493 |
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~%
Dimethyl 3-hydr... CAS#:7250-55-7 |
| Literature: Farmaco, Edizione Scientifica, , vol. 33, p. 237 - 252 |
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 lists relevant public references with title, journal and publication metadata for this compound.
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Enantioselective enzymatic preparation of chiral glutaric monocarboxylic acids and amides. Jacobsen EE, et al.
J. Mol. Catal., B Enzym. 21(1) , 55-58, (2003)
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A convergent synthetic strategy for the polyene macrolide pimaricin. Brooks DW and Palmer JT.
Tetrahedron Lett. 24(30) , 3059-62, (1983)
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D.W. Brooks, J.T. Palmer
Tetrahedron Lett. 24 , 3059, (1983)
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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.
| Pentanedioic acid, 3-hydroxy-, dimethyl ester |
| Dimethyl 3-hydroxypentanedioate |
| Glutaric acid, 3-hydroxy-, dimethyl ester |
| MFCD00042841 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of Dimethyl 3-hydroxypentanedioate? |
| A: InChIKey of Dimethyl 3-hydroxypentanedioate is CUPGMRSSZADEIW-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of Dimethyl 3-hydroxypentanedioate? |
| A: Polar surface area (PSA) of Dimethyl 3-hydroxypentanedioate is 72.83000. |
| Q: What is the boiling point of Dimethyl 3-hydroxypentanedioate? |
| A: Boiling point of Dimethyl 3-hydroxypentanedioate is 265.6±20.0 °C at 760 mmHg. |
| Q: What English synonyms does Dimethyl 3-hydroxypentanedioate have? |
| A: English synonyms of Dimethyl 3-hydroxypentanedioate: Pentanedioic acid, 3-hydroxy-, dimethyl ester, Dimethyl 3-hydroxypentanedioate, Glutaric acid, 3-hydroxy-, dimethyl ester, MFCD00042841. |
| Q: What are the storage conditions for Dimethyl 3-hydroxypentanedioate? |
| A: Storage conditions for Dimethyl 3-hydroxypentanedioate: Refrigerator. |
| Q: What is the safety information for Dimethyl 3-hydroxypentanedioate? |
| A: Safety information for Dimethyl 3-hydroxypentanedioate: 23-24/25. |
| Q: What is the English name of Dimethyl 3-hydroxypentanedioate? |
| A: The English name of Dimethyl 3-hydroxypentanedioate is Dimethyl 3-hydroxypentanedioate. |
| Q: What is the LogP of Dimethyl 3-hydroxypentanedioate? |
| A: LogP of Dimethyl 3-hydroxypentanedioate is -0.77. |
| Q: What is the molecular formula of Dimethyl 3-hydroxypentanedioate? |
| A: Molecular formula of Dimethyl 3-hydroxypentanedioate is C7H12O5. |
| Q: What is the molecular weight of Dimethyl 3-hydroxypentanedioate? |
| A: Molecular weight of Dimethyl 3-hydroxypentanedioate is 176.167. |
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. |