1-phenylhexane-1,3-dione
1-phenylhexane-1,3-dione structure
|
Common Name | 1-phenylhexane-1,3-dione | ||
|---|---|---|---|---|
| CAS Number | 5331-13-5 | Molecular Weight | 190.23800 | |
| Density | 1.033g/cm3 | Boiling Point | 294.9ºC at 760 mmHg | |
| Molecular Formula | C12H14O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 110ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-phenylhexane-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 | 1.033g/cm3 |
|---|---|
| Boiling Point | 294.9ºC at 760 mmHg |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.23800 |
| Flash Point | 110ºC |
| Exact Mass | 190.09900 |
| PSA | 34.14000 |
| LogP | 2.62860 |
| Index of Refraction | 1.507 |
| InChIKey | WBMJETLNTZLTFE-UHFFFAOYSA-N |
| SMILES | CCCC(=O)CC(=O)c1ccccc1 |
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 6 | |
CAS#:141-75-3
CAS#:70-11-1
CAS#:3282-32-4
CAS#:123-72-8
CAS#:75-03-6
CAS#:93-91-4
CAS#:932-90-1
CAS#:14252-32-5
CAS#:106-31-0
CAS#:105-54-4
CAS#:67073-98-7
CAS#:89967-05-5
CAS#:89967-12-4
CAS#:89967-23-7
CAS#:90015-79-5
CAS#:63297-52-9This 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
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-phenyl-1,3-hexadione |
| 1-phenyl-1,3-hexadecanedione |
| buterylacetophenone |
| 1-phenyl-hexane-1,3-dione |
| 1-PHENYL-1,3-HEXANEDIONE |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 1-phenylhexane-1,3-dione? |
| A: LogP of 1-phenylhexane-1,3-dione is 2.62860. |
| Q: What English synonyms does 1-phenylhexane-1,3-dione have? |
| A: English synonyms of 1-phenylhexane-1,3-dione: 1-phenyl-1,3-hexadione, 1-phenyl-1,3-hexadecanedione, buterylacetophenone, 1-phenyl-hexane-1,3-dione, 1-PHENYL-1,3-HEXANEDIONE. |
| Q: What is the polar surface area (PSA) of 1-phenylhexane-1,3-dione? |
| A: Polar surface area (PSA) of 1-phenylhexane-1,3-dione is 34.14000. |
| Q: What is the InChIKey of 1-phenylhexane-1,3-dione? |
| A: InChIKey of 1-phenylhexane-1,3-dione is WBMJETLNTZLTFE-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 1-phenylhexane-1,3-dione? |
| A: Molecular weight of 1-phenylhexane-1,3-dione is 190.23800. |
| Q: What is the SMILES notation of 1-phenylhexane-1,3-dione? |
| A: SMILES notation of 1-phenylhexane-1,3-dione is CCCC(=O)CC(=O)c1ccccc1. |
| Q: What are the downstream products of 1-phenylhexane-1,3-dione? |
| A: Related downstream products(CAS) of 1-phenylhexane-1,3-dione: 67073-98-7;89967-05-5;89967-12-4;89967-23-7;90015-79-5;63297-52-9. |
| Q: What are the upstream materials of 1-phenylhexane-1,3-dione? |
| A: Related upstream materials(CAS) of 1-phenylhexane-1,3-dione: 141-75-3;70-11-1;3282-32-4;123-72-8;75-03-6;93-91-4;932-90-1;14252-32-5;106-31-0;105-54-4. |
| Q: What is the boiling point of 1-phenylhexane-1,3-dione? |
| A: Boiling point of 1-phenylhexane-1,3-dione is 294.9ºC at 760 mmHg. |
| Q: What is the CAS number of 1-phenylhexane-1,3-dione? |
| A: CAS number of 1-phenylhexane-1,3-dione is 5331-13-5. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |