1-phenylbutane-1,4-diol
1-phenylbutane-1,4-diol structure
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Common Name | 1-phenylbutane-1,4-diol | ||
|---|---|---|---|---|
| CAS Number | 4850-50-4 | Molecular Weight | 166.21700 | |
| Density | 1.1g/cm3 | Boiling Point | 316.1ºC at 760 mmHg | |
| Molecular Formula | C10H14O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 153.9ºC | |
Summary: 1-phenylbutane-1,4-diol (CAS号4850-50-4), molecular formula C10H14O2, molecular weight 166.21700. This colorless and transparent liquid has a boiling point of 316.1°C and a density of 1.1g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-phenylbutane-1,4-diol |
|---|---|
| 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 | 1.1g/cm3 |
|---|---|
| Boiling Point | 316.1ºC at 760 mmHg |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.21700 |
| Flash Point | 153.9ºC |
| Exact Mass | 166.09900 |
| PSA | 40.46000 |
| LogP | 1.49250 |
| Index of Refraction | 1.55 |
| InChIKey | OKWLUBCSBVYYTC-UHFFFAOYSA-N |
| SMILES | OCCCC(O)c1ccccc1 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
|---|---|
| DownStream 8 | |
CAS#:431-03-8
CAS#:121883-32-7
CAS#:241818-03-1
CAS#:3360-41-6
CAS#:1006-64-0
CAS#:22144-60-1
CAS#:22135-49-5
CAS#:39755-03-8This 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-butanedione |
| 1-phenyl-1,4-butanediol |
| 1,4-dihydroxy-1-phenylbutane |
| 2-Acetylacetophenone |
| Acetoacetophenone |
| 1-benzoylacetone |
| 1-phenyl-butane-1,3-dione |
| 1-Benzoyl-2-propanone |
| 4-phenyl-4-hydroxybutanol |
| 1-phenyl-1,4-butandiol |
| 1,3-Butanedione,1-phenyl |
| 1-phenyl-butane-1,4-diol |
| Acetylbenzoylmethane |
| benzoyl acetone |
| acetyl acetophenone |
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-phenylbutane-1,4-diol? |
| A: LogP of 1-phenylbutane-1,4-diol is 1.49250. |
| Q: What is the SMILES notation of 1-phenylbutane-1,4-diol? |
| A: SMILES notation of 1-phenylbutane-1,4-diol is OCCCC(O)c1ccccc1. |
| Q: What is the polar surface area (PSA) of 1-phenylbutane-1,4-diol? |
| A: Polar surface area (PSA) of 1-phenylbutane-1,4-diol is 40.46000. |
| Q: What is the molecular weight of 1-phenylbutane-1,4-diol? |
| A: Molecular weight of 1-phenylbutane-1,4-diol is 166.21700. |
| Q: What is the boiling point of 1-phenylbutane-1,4-diol? |
| A: Boiling point of 1-phenylbutane-1,4-diol is 316.1ºC at 760 mmHg. |
| Q: What English synonyms does 1-phenylbutane-1,4-diol have? |
| A: English synonyms of 1-phenylbutane-1,4-diol: 1-phenyl-1,3-butanedione, 1-phenyl-1,4-butanediol, 1,4-dihydroxy-1-phenylbutane, 2-Acetylacetophenone, Acetoacetophenone, 1-benzoylacetone, 1-phenyl-butane-1,3-dione, 1-Benzoyl-2-propanone, 4-phenyl-4-hydroxybutanol, 1-phenyl-1,4-butandiol, 1,3-Butanedione,1-phenyl, 1-phenyl-butane-1,4-diol, Acetylbenzoylmethane, benzoyl acetone, acetyl acetophenone. |
| Q: What are the downstream products of 1-phenylbutane-1,4-diol? |
| A: Related downstream products(CAS) of 1-phenylbutane-1,4-diol: 431-03-8;121883-32-7;241818-03-1;3360-41-6;1006-64-0;22144-60-1;22135-49-5;39755-03-8. |
| Q: What is the molecular formula of 1-phenylbutane-1,4-diol? |
| A: Molecular formula of 1-phenylbutane-1,4-diol is C10H14O2. |
| Q: What is the CAS number of 1-phenylbutane-1,4-diol? |
| A: CAS number of 1-phenylbutane-1,4-diol is 4850-50-4. |
| Q: What is the English name of 1-phenylbutane-1,4-diol? |
| A: The English name of 1-phenylbutane-1,4-diol is 1-phenylbutane-1,4-diol. |
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. |