Hexanoic acid 3-phenylpropyl ester
Hexanoic acid 3-phenylpropyl ester structure
|
Common Name | Hexanoic acid 3-phenylpropyl ester | ||
|---|---|---|---|---|
| CAS Number | 6281-40-9 | Molecular Weight | 234.33400 | |
| Density | 0.971g/cm3 | Boiling Point | 330ºC at 760 mmHg | |
| Molecular Formula | C15H22O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 119.9ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-phenylpropyl hexanoate |
|---|---|
| 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 | 0.971g/cm3 |
|---|---|
| Boiling Point | 330ºC at 760 mmHg |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33400 |
| Flash Point | 119.9ºC |
| Exact Mass | 234.16200 |
| PSA | 26.30000 |
| LogP | 3.74270 |
| Index of Refraction | 1.492 |
| InChIKey | RSOGLEKUVSFLMO-UHFFFAOYSA-N |
| SMILES | CCCCCC(=O)OCCCc1ccccc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~97%
Hexanoic acid 3... CAS#:6281-40-9 |
| Literature: Kawabata, Tomonori; Mizugaki, Tomoo; Ebitani, Kohki; Kaneda, Kiyotomi Tetrahedron Letters, 2003 , vol. 44, # 51 p. 9205 - 9208 |
|
~82%
Hexanoic acid 3... CAS#:6281-40-9 |
| Literature: Yamaguchi, Masahiko; Tsukamoto, Yukiharu; Minami, Toru Chemistry Letters, 1990 , # 7 p. 1223 - 1226 |
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
|
|
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.
| 3-phenyl-1-propyl hexanoate |
| Hydrocinnamyl caproate |
| Hexanoic acid,3-phenylpropyl ester |
| 3-Phenylpropyl caproate |
| Hydrocinnamyl hexanoate |
| 3-Phenyl propyl hexanoate |
| FEMA No. 2896 |
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 3-phenylpropyl hexanoate? |
| A: SMILES notation of 3-phenylpropyl hexanoate is CCCCCC(=O)OCCCc1ccccc1. |
| Q: What is the boiling point of 3-phenylpropyl hexanoate? |
| A: Boiling point of 3-phenylpropyl hexanoate is 330ºC at 760 mmHg. |
| Q: What is the InChIKey of 3-phenylpropyl hexanoate? |
| A: InChIKey of 3-phenylpropyl hexanoate is RSOGLEKUVSFLMO-UHFFFAOYSA-N. |
| Q: What English synonyms does 3-phenylpropyl hexanoate have? |
| A: English synonyms of 3-phenylpropyl hexanoate: 3-phenyl-1-propyl hexanoate, Hydrocinnamyl caproate, Hexanoic acid,3-phenylpropyl ester, 3-Phenylpropyl caproate, Hydrocinnamyl hexanoate, 3-Phenyl propyl hexanoate, FEMA No. 2896. |
| Q: What is the molecular formula of 3-phenylpropyl hexanoate? |
| A: Molecular formula of 3-phenylpropyl hexanoate is C15H22O2. |
| Q: What is the molecular weight of 3-phenylpropyl hexanoate? |
| A: Molecular weight of 3-phenylpropyl hexanoate is 234.33400. |
| Q: What is the English name of 3-phenylpropyl hexanoate? |
| A: The English name of 3-phenylpropyl hexanoate is 3-phenylpropyl hexanoate. |
| Q: What is the LogP of 3-phenylpropyl hexanoate? |
| A: LogP of 3-phenylpropyl hexanoate is 3.74270. |
| Q: What is the polar surface area (PSA) of 3-phenylpropyl hexanoate? |
| A: Polar surface area (PSA) of 3-phenylpropyl hexanoate is 26.30000. |
| Q: What is the CAS number of 3-phenylpropyl hexanoate? |
| A: CAS number of 3-phenylpropyl hexanoate is 6281-40-9. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |