Methyl 3-(4-hydroxyphenyl)propionate
Methyl 3-(4-hydroxyphenyl)propionate structure
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Common Name | Methyl 3-(4-hydroxyphenyl)propionate | ||
|---|---|---|---|---|
| CAS Number | 5597-50-2 | Molecular Weight | 180.201 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 228.5±0.0 °C at 760 mmHg | |
| Molecular Formula | C10H12O3 | Melting Point | 39-41 °C(lit.) | |
| MSDS | USA | Flash Point | 124.0±13.2 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Methyl 3-(4-hydroxyphenyl)propionate |
|---|---|
| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 228.5±0.0 °C at 760 mmHg |
| Melting Point | 39-41 °C(lit.) |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.201 |
| Flash Point | 124.0±13.2 °C |
| Exact Mass | 180.078644 |
| PSA | 46.53000 |
| LogP | 1.52 |
| Vapour Pressure | 0.0±0.4 mmHg at 25°C |
| Index of Refraction | 1.532 |
| InChIKey | XRAMJHXWXCMGJM-UHFFFAOYSA-N |
| SMILES | COC(=O)CCc1ccc(O)cc1 |
| Storage condition | 2-8°C |
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.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2918290000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
CAS#:67-56-1
CAS#:501-97-3
CAS#:74-88-4
CAS#:3943-97-3
CAS#:7400-08-0
CAS#:123-08-0
CAS#:616-38-6
CAS#:77-78-1
CAS#:61240-27-5
CAS#:60-82-2
CAS#:50463-48-4
CAS#:20238-83-9
CAS#:20401-88-1
CAS#:81161-17-3
CAS#:81147-92-4
CAS#:61440-45-7
CAS#:3598-22-9
CAS#:10210-17-0This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Detection, isolation and characterization of a root-exuded compound, methyl 3-(4-hydroxyphenyl) propionate, responsible for biological nitrification inhibition by sorghum (Sorghum bicolor).
New Phytol. 180(2) , 442-51, (2008) Nitrification results in poor nitrogen (N) recovery and negative environmental impacts in most agricultural systems. Some plant species release secondary metabolites from their roots that inhibit nitr... |
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Proof of principle for the synthesis of hydroxy-aryl esters of glycosidic polyols and non-reducing oligosaccharides with subsequent enzymatic coupling to a tyrosine-containing tripeptide.
Carbohydr. Res. 346(8) , 1005-12, (2011) To enable enzymatic coupling of saccharides to proteins, several di- and trisaccharides were hydroxy-arylated using anhydrous transesterification with methyl 3-(4-hydroxyphenyl)propionate, catalyzed b... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: Antioxidant activity assessed as DPPH radical scavenging activity
Source: ChEMBL
Target: N/A
External Id: CHEMBL3096925
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Antifungal activity against Colletotrichum fragariae by TLC bioautography
Source: ChEMBL
Target: Colletotrichum fragariae
External Id: CHEMBL3047708
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Name: Antifeedant activity against Hylobius abietis (pine weevil ) in compound pre-treated ...
Source: ChEMBL
Target: Hylobius abietis
External Id: CHEMBL3051815
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-(4-Hydroxyphenyl)propionic acid methyl ester |
| MFCD00071577 |
| Methyl 3-(p-hydroxyphenyl)propionate |
| Methyl 3-(4-hydroxyphenyl)propanoate |
| Benzenepropanoic acid, 4-hydroxy-, methyl ester |
| Methyl 3-(4-Hydroxyphenyl)propionate |
| Methyl p-hydroxyphenylpropionate |
| methyl-3-(4-hydroxyphenyl)propionate |
| Methyl 4-hydroxyphenylpropionate |
| p-Dihydrocoumaric acid methyl ester |
| Methyl p-hydroxyhydrocinnamate |
| Propanoic acid, 3-(4-hydroxyphenyl), methyl ester |
| Methyl 4-hydroxyhydrocinnamate |
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-(4-hydroxyphenyl)propionate? |
| A: SMILES notation of Methyl 3-(4-hydroxyphenyl)propionate is COC(=O)CCc1ccc(O)cc1. |
| Q: What are the upstream materials of Methyl 3-(4-hydroxyphenyl)propionate? |
| A: Related upstream materials(CAS) of Methyl 3-(4-hydroxyphenyl)propionate: 67-56-1;501-97-3;74-88-4;3943-97-3;7400-08-0;123-08-0;616-38-6;77-78-1;61240-27-5. |
| Q: What is the melting point of Methyl 3-(4-hydroxyphenyl)propionate? |
| A: Melting point of Methyl 3-(4-hydroxyphenyl)propionate is 39-41 °C(lit.). |
| Q: What are the downstream products of Methyl 3-(4-hydroxyphenyl)propionate? |
| A: Related downstream products(CAS) of Methyl 3-(4-hydroxyphenyl)propionate: 60-82-2;501-97-3;50463-48-4;20238-83-9;20401-88-1;81161-17-3;81147-92-4;61440-45-7;3598-22-9;10210-17-0. |
| Q: What is the molecular formula of Methyl 3-(4-hydroxyphenyl)propionate? |
| A: Molecular formula of Methyl 3-(4-hydroxyphenyl)propionate is C10H12O3. |
| Q: What is the LogP of Methyl 3-(4-hydroxyphenyl)propionate? |
| A: LogP of Methyl 3-(4-hydroxyphenyl)propionate is 1.52. |
| Q: What is the boiling point of Methyl 3-(4-hydroxyphenyl)propionate? |
| A: Boiling point of Methyl 3-(4-hydroxyphenyl)propionate is 228.5±0.0 °C at 760 mmHg. |
| Q: What is the InChIKey of Methyl 3-(4-hydroxyphenyl)propionate? |
| A: InChIKey of Methyl 3-(4-hydroxyphenyl)propionate is XRAMJHXWXCMGJM-UHFFFAOYSA-N. |
| Q: What is the CAS number of Methyl 3-(4-hydroxyphenyl)propionate? |
| A: CAS number of Methyl 3-(4-hydroxyphenyl)propionate is 5597-50-2. |
| Q: What is the polar surface area (PSA) of Methyl 3-(4-hydroxyphenyl)propionate? |
| A: Polar surface area (PSA) of Methyl 3-(4-hydroxyphenyl)propionate is 46.53000. |
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. |