3,3-Diphenylpropanoic acid
3,3-Diphenylpropanoic acid structure
|
Common Name | 3,3-Diphenylpropanoic acid | ||
|---|---|---|---|---|
| CAS Number | 102-16-9 | Molecular Weight | 226.270 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 335.0±11.0 °C at 760 mmHg | |
| Molecular Formula | C15H14O2 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 139.9±17.6 °C | |
| Symbol |
GHS09 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Benzyl Phenylacetate |
|---|---|
| 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 | 335.0±11.0 °C at 760 mmHg |
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.270 |
| Flash Point | 139.9±17.6 °C |
| Exact Mass | 226.099380 |
| PSA | 26.30000 |
| LogP | 3.75 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.571 |
| InChIKey | MIYFJEKZLFWKLZ-UHFFFAOYSA-N |
| SMILES | O=C(Cc1ccccc1)OCc1ccccc1 |
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 |
GHS09 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H400 |
| Precautionary Statements | P273 |
| Personal Protective Equipment | Eyeshields;Gloves |
| Hazard Codes | N |
| Risk Phrases | 50/53 |
| Safety Phrases | 60-61 |
| RIDADR | UN 3082 9 / PGIII |
| WGK Germany | 2 |
| HS Code | 2916399090 |
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 10 | |
|---|---|
| DownStream 10 | |
CAS#:103-82-2
CAS#:100-51-6
CAS#:201230-82-2
CAS#:103-80-0
CAS#:101-41-7
CAS#:14338-32-0
CAS#:4800-58-2
CAS#:52693-56-8
CAS#:501-53-1
CAS#:108-48-5
CAS#:4606-15-9
CAS#:108-88-3
CAS#:18255-05-5
CAS#:4861-85-2
CAS#:7782-24-3
CAS#:7782-26-5
CAS#:5460-60-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
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
|
|
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
|
|
Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
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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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|
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
|
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Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
|
|
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
|
|
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
|
|
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Phenylacetic Acid Benzyl Ester |
| benzyl 2-phenylacetate |
| EINECS 203-008-4 |
| Benzeneacetic acid, phenylmethyl ester |
| 3,3-Diphenylpropanoic acid |
| MFCD00022045 |
| Benzyl phenylacetate |
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 Benzyl Phenylacetate? |
| A: SMILES notation of Benzyl Phenylacetate is O=C(Cc1ccccc1)OCc1ccccc1. |
| Q: What is the CAS number of Benzyl Phenylacetate? |
| A: CAS number of Benzyl Phenylacetate is 102-16-9. |
| Q: What is the molecular formula of Benzyl Phenylacetate? |
| A: Molecular formula of Benzyl Phenylacetate is C15H14O2. |
| Q: What is the LogP of Benzyl Phenylacetate? |
| A: LogP of Benzyl Phenylacetate is 3.75. |
| Q: What are the downstream products of Benzyl Phenylacetate? |
| A: Related downstream products(CAS) of Benzyl Phenylacetate: 4606-15-9;103-82-2;108-88-3;18255-05-5;100-51-6;4861-85-2;101-41-7;7782-24-3;7782-26-5;5460-60-6. |
| Q: What is the InChIKey of Benzyl Phenylacetate? |
| A: InChIKey of Benzyl Phenylacetate is MIYFJEKZLFWKLZ-UHFFFAOYSA-N. |
| Q: What are the upstream materials of Benzyl Phenylacetate? |
| A: Related upstream materials(CAS) of Benzyl Phenylacetate: 103-82-2;100-51-6;201230-82-2;103-80-0;101-41-7;14338-32-0;4800-58-2;52693-56-8;501-53-1;108-48-5. |
| Q: What is the polar surface area (PSA) of Benzyl Phenylacetate? |
| A: Polar surface area (PSA) of Benzyl Phenylacetate is 26.30000. |
| Q: What English synonyms does Benzyl Phenylacetate have? |
| A: English synonyms of Benzyl Phenylacetate: Phenylacetic Acid Benzyl Ester, benzyl 2-phenylacetate, EINECS 203-008-4, Benzeneacetic acid, phenylmethyl ester, 3,3-Diphenylpropanoic acid, MFCD00022045, Benzyl phenylacetate. |
| Q: What is the English name of Benzyl Phenylacetate? |
| A: The English name of Benzyl Phenylacetate is Benzyl Phenylacetate. |
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. |