4-Methyl-1-phenyl-2-pentanone
4-Methyl-1-phenyl-2-pentanone structure
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Common Name | 4-Methyl-1-phenyl-2-pentanone | ||
|---|---|---|---|---|
| CAS Number | 5349-62-2 | Molecular Weight | 176.25500 | |
| Density | 0.949 | Boiling Point | 250-251ºC | |
| Molecular Formula | C12H16O | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 105ºC | |
Use of 4-Methyl-1-phenyl-2-pentanone4-Methyl-1-phenyl-2-pentanone is an endogenous metabolite. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-methyl-1-phenylpentan-2-one |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 4-Methyl-1-phenyl-2-pentanone is an endogenous metabolite. |
|---|---|
| Related Catalog |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.949 |
|---|---|
| Boiling Point | 250-251ºC |
| Molecular Formula | C12H16O |
| Molecular Weight | 176.25500 |
| Flash Point | 105ºC |
| Exact Mass | 176.12000 |
| PSA | 17.07000 |
| LogP | 2.84430 |
| Index of Refraction | 1.498 |
| InChIKey | DTYGTEGDVPAKDA-UHFFFAOYSA-N |
| SMILES | CC(C)CC(=O)Cc1ccccc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves |
|---|---|
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2914399090 |
This 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
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Pentanone,4-methyl-1-phenyl |
| 4-Oxo-2-methyl-5-phenyl-pentan |
| 4-methyl-1-phenyl-pentan-2-one |
| Isobutyl benzyl ketone |
| 4-Methyl-1-phenyl-pentan-2-on |
| 1-phenyl-4-methyl-2-pentanone |
| 4-Methyl-1-phenyl-2-pentanone |
| MFCD00015639 |
| FEMA No. 2740 |
| Benzyl isobutyl ketone |
| EINECS 226-316-0 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 4-methyl-1-phenylpentan-2-one? |
| A: Boiling point of 4-methyl-1-phenylpentan-2-one is 250-251ºC. |
| Q: What are the uses of 4-methyl-1-phenylpentan-2-one? |
| A: Main uses of 4-methyl-1-phenylpentan-2-one: 4-Methyl-1-phenyl-2-pentanone is an endogenous metabolite. |
| Q: What is the InChIKey of 4-methyl-1-phenylpentan-2-one? |
| A: InChIKey of 4-methyl-1-phenylpentan-2-one is DTYGTEGDVPAKDA-UHFFFAOYSA-N. |
| Q: What is the English name of 4-methyl-1-phenylpentan-2-one? |
| A: The English name of 4-methyl-1-phenylpentan-2-one is 4-methyl-1-phenylpentan-2-one. |
| Q: What is the polar surface area (PSA) of 4-methyl-1-phenylpentan-2-one? |
| A: Polar surface area (PSA) of 4-methyl-1-phenylpentan-2-one is 17.07000. |
| Q: What is the SMILES notation of 4-methyl-1-phenylpentan-2-one? |
| A: SMILES notation of 4-methyl-1-phenylpentan-2-one is CC(C)CC(=O)Cc1ccccc1. |
| Q: What is the molecular formula of 4-methyl-1-phenylpentan-2-one? |
| A: Molecular formula of 4-methyl-1-phenylpentan-2-one is C12H16O. |
| Q: What is the LogP of 4-methyl-1-phenylpentan-2-one? |
| A: LogP of 4-methyl-1-phenylpentan-2-one is 2.84430. |
| Q: What is the molecular weight of 4-methyl-1-phenylpentan-2-one? |
| A: Molecular weight of 4-methyl-1-phenylpentan-2-one is 176.25500. |
| Q: What English synonyms does 4-methyl-1-phenylpentan-2-one have? |
| A: English synonyms of 4-methyl-1-phenylpentan-2-one: 2-Pentanone,4-methyl-1-phenyl, 4-Oxo-2-methyl-5-phenyl-pentan, 4-methyl-1-phenyl-pentan-2-one, Isobutyl benzyl ketone, 4-Methyl-1-phenyl-pentan-2-on, 1-phenyl-4-methyl-2-pentanone, 4-Methyl-1-phenyl-2-pentanone, MFCD00015639, FEMA No. 2740, Benzyl isobutyl ketone, EINECS 226-316-0. |
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. |