1,3-Pentanedione,1-phenyl
1,3-Pentanedione,1-phenyl structure
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Common Name | 1,3-Pentanedione,1-phenyl | ||
|---|---|---|---|---|
| CAS Number | 5331-64-6 | Molecular Weight | 176.21200 | |
| Density | 1.051g/cm3 | Boiling Point | 278.6ºC at 760mmHg | |
| Molecular Formula | C11H12O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 103.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-phenylpentane-1,3-dione |
|---|---|
| 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 | 1.051g/cm3 |
|---|---|
| Boiling Point | 278.6ºC at 760mmHg |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.21200 |
| Flash Point | 103.5ºC |
| Exact Mass | 176.08400 |
| PSA | 34.14000 |
| LogP | 2.23850 |
| Index of Refraction | 1.51 |
| InChIKey | NKXMBTKMOVMBPH-UHFFFAOYSA-N |
| SMILES | CCC(=O)CC(=O)c1ccccc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2914399090 |
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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 9 | |
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CAS#:64571-51-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914399090 |
|---|---|
| Summary | 2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
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.
| 1,3-Pentanedione,1-phenyl |
| PROPIONYL ACETOPHENONE |
| UNII-AMW81O2630 |
| (phenyl)-1,3-pentanedione |
| 1-Phenyl-1,3-pentandion |
| propanylacetophenone |
| 1-phenyl-1,3-pentanedione |
| 1-phenyl-1,3-pentadione |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 1-phenylpentane-1,3-dione? |
| A: Molecular formula of 1-phenylpentane-1,3-dione is C11H12O2. |
| Q: What is the CAS number of 1-phenylpentane-1,3-dione? |
| A: CAS number of 1-phenylpentane-1,3-dione is 5331-64-6. |
| Q: What is the LogP of 1-phenylpentane-1,3-dione? |
| A: LogP of 1-phenylpentane-1,3-dione is 2.23850. |
| Q: What is the SMILES notation of 1-phenylpentane-1,3-dione? |
| A: SMILES notation of 1-phenylpentane-1,3-dione is CCC(=O)CC(=O)c1ccccc1. |
| Q: What is the molecular weight of 1-phenylpentane-1,3-dione? |
| A: Molecular weight of 1-phenylpentane-1,3-dione is 176.21200. |
| Q: What English synonyms does 1-phenylpentane-1,3-dione have? |
| A: English synonyms of 1-phenylpentane-1,3-dione: 1,3-Pentanedione,1-phenyl, PROPIONYL ACETOPHENONE, UNII-AMW81O2630, (phenyl)-1,3-pentanedione, 1-Phenyl-1,3-pentandion, propanylacetophenone, 1-phenyl-1,3-pentanedione, 1-phenyl-1,3-pentadione. |
| Q: What is the InChIKey of 1-phenylpentane-1,3-dione? |
| A: InChIKey of 1-phenylpentane-1,3-dione is NKXMBTKMOVMBPH-UHFFFAOYSA-N. |
| Q: What are the downstream products of 1-phenylpentane-1,3-dione? |
| A: Related downstream products(CAS) of 1-phenylpentane-1,3-dione: 3457-55-4;579-07-7;13618-19-4;74502-97-9;681180-59-6;86984-22-7;89967-11-3;89967-19-1;64571-51-3. |
| Q: What is the English name of 1-phenylpentane-1,3-dione? |
| A: The English name of 1-phenylpentane-1,3-dione is 1-phenylpentane-1,3-dione. |
| Q: What is the Chinese name of 5331-64-6? |
| A: Chinese name of 5331-64-6 is 5331-64-6. |
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. |