methyl 3-(3-hydroxyphenyl)propanoate
methyl 3-(3-hydroxyphenyl)propanoate structure
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Common Name | methyl 3-(3-hydroxyphenyl)propanoate | ||
|---|---|---|---|---|
| CAS Number | 61389-68-2 | Molecular Weight | 180.20000 | |
| Density | 1.146g/cm3 | Boiling Point | 294.8ºC at 760 mmHg | |
| Molecular Formula | C10H12O3 | Melting Point | N/A | |
| MSDS | USA | Flash Point | 125ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 3-(3-hydroxyphenyl)propanoate |
|---|---|
| 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 | 1.146g/cm3 |
|---|---|
| Boiling Point | 294.8ºC at 760 mmHg |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.20000 |
| Flash Point | 125ºC |
| Exact Mass | 180.07900 |
| PSA | 46.53000 |
| LogP | 1.49780 |
| Index of Refraction | 1.532 |
| InChIKey | IIFOKIAATXLZIB-UHFFFAOYSA-N |
| SMILES | COC(=O)CCc1cccc(O)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Safety Phrases | 24/25 |
|---|---|
| HS Code | 2918290000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~97%
methyl 3-(3-hyd... CAS#:61389-68-2 |
| Literature: PIERRE FABRE MEDICAMENT Patent: WO2005/80354 A1, 2005 ; Location in patent: Page/Page column 24-25 ; WO 2005/080354 A1 |
|
~98%
methyl 3-(3-hyd... CAS#:61389-68-2 |
| Literature: IRM LLC Patent: WO2007/56497 A1, 2007 ; Location in patent: Page/Page column 34 ; WO 2007/056497 A1 |
|
~98%
methyl 3-(3-hyd... CAS#:61389-68-2 |
| Literature: ASTRAZENECA AB Patent: US2008/4302 A1, 2008 ; Location in patent: Page/Page column 76-77; 87 ; US 20080004302 A1 |
|
~%
methyl 3-(3-hyd... CAS#:61389-68-2 |
| Literature: US6602878 B1, ; |
|
~%
methyl 3-(3-hyd... CAS#:61389-68-2 |
| Literature: US6069149 A1, ; |
|
~49%
methyl 3-(3-hyd... CAS#:61389-68-2 |
| Literature: Marquez, Irene R.; Miguel, Delia; Millan, Alba; Marcos, M. Luisa; De Cienfuegos, Luis Alvarez; Campana, Araceli G.; Cuerva, Juan M. Journal of Organic Chemistry, 2014 , vol. 79, # 4 p. 1529 - 1541 |
|
~%
methyl 3-(3-hyd... CAS#:61389-68-2 |
| Literature: Tetrahedron Letters, , vol. 48, # 21 p. 3655 - 3659 |
|
~%
methyl 3-(3-hyd... CAS#:61389-68-2 |
| Literature: Tetrahedron Asymmetry, , vol. 9, # 16 p. 2915 - 2924 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 2 | |
CAS#:193151-11-0
CAS#:1424-74-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918290000 |
|---|---|
| Summary | HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| methyl 3-Hydroxy-benzenepropanoate |
| methyl 3-(3-hydroxyphenyl)-propanoate |
| 3-(3-hydroxyphenyl)propionic acid methyl ester |
| Methyl 3-(3-hydroxyphenyl)propionate |
| methyl 3-(3-(hydroxymethyl)phenyl)propanoate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of methyl 3-(3-hydroxyphenyl)propanoate? |
| A: SMILES notation of methyl 3-(3-hydroxyphenyl)propanoate is COC(=O)CCc1cccc(O)c1. |
| Q: What is the boiling point of methyl 3-(3-hydroxyphenyl)propanoate? |
| A: Boiling point of methyl 3-(3-hydroxyphenyl)propanoate is 294.8ºC at 760 mmHg. |
| Q: What is the English name of methyl 3-(3-hydroxyphenyl)propanoate? |
| A: The English name of methyl 3-(3-hydroxyphenyl)propanoate is methyl 3-(3-hydroxyphenyl)propanoate. |
| Q: What English synonyms does methyl 3-(3-hydroxyphenyl)propanoate have? |
| A: English synonyms of methyl 3-(3-hydroxyphenyl)propanoate: methyl 3-Hydroxy-benzenepropanoate, methyl 3-(3-hydroxyphenyl)-propanoate, 3-(3-hydroxyphenyl)propionic acid methyl ester, Methyl 3-(3-hydroxyphenyl)propionate, methyl 3-(3-(hydroxymethyl)phenyl)propanoate. |
| Q: What is the polar surface area (PSA) of methyl 3-(3-hydroxyphenyl)propanoate? |
| A: Polar surface area (PSA) of methyl 3-(3-hydroxyphenyl)propanoate is 46.53000. |
| Q: What are the upstream materials of methyl 3-(3-hydroxyphenyl)propanoate? |
| A: Related upstream materials(CAS) of methyl 3-(3-hydroxyphenyl)propanoate: 66417-46-7;67-56-1;621-54-5;74-88-4;14755-02-3;101752-05-0;626-02-8;292638-85-8;10516-71-9. |
| Q: What is the safety information for methyl 3-(3-hydroxyphenyl)propanoate? |
| A: Safety information for methyl 3-(3-hydroxyphenyl)propanoate: 24/25. |
| Q: What is the InChIKey of methyl 3-(3-hydroxyphenyl)propanoate? |
| A: InChIKey of methyl 3-(3-hydroxyphenyl)propanoate is IIFOKIAATXLZIB-UHFFFAOYSA-N. |
| Q: What is the molecular formula of methyl 3-(3-hydroxyphenyl)propanoate? |
| A: Molecular formula of methyl 3-(3-hydroxyphenyl)propanoate is C10H12O3. |
| Q: What is the CAS number of methyl 3-(3-hydroxyphenyl)propanoate? |
| A: CAS number of methyl 3-(3-hydroxyphenyl)propanoate is 61389-68-2. |
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. |