2,6-Dihydroxyacetophenone structure
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Common Name | 2,6-Dihydroxyacetophenone | ||
|---|---|---|---|---|
| CAS Number | 699-83-2 | Molecular Weight | 152.147 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 262.8±20.0 °C at 760 mmHg | |
| Molecular Formula | C8H8O3 | Melting Point | 156-158 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 127.0±18.3 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of 2,6-Dihydroxyacetophenone2,6-Dihydroxyacetophenone is an endogenous metabolite. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2',6'-Dihydroxyacetophenone |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 2,6-Dihydroxyacetophenone 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 262.8±20.0 °C at 760 mmHg |
| Melting Point | 156-158 °C(lit.) |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.147 |
| Flash Point | 127.0±18.3 °C |
| Exact Mass | 152.047348 |
| PSA | 57.53000 |
| LogP | 2.28 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.595 |
| InChIKey | YPTJKHVBDCRKNF-UHFFFAOYSA-N |
| SMILES | CC(=O)c1c(O)cccc1O |
| Water Solubility | sparingly soluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2914400090 |
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 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914501900 |
|---|---|
| Summary | 2914501900 other ketone-phenols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Molecular modeling and inhibition of phospholipase A2by polyhydroxy phenolic compounds
Eur. J. Med. Chem. 44 , 312-21, (2009) Phospholipases A 2 are enzymes responsible for the hydrolysis of membrane phospholipids that release arachidonic acid, which serves as substrate for pro-inflammatory mediators, such as prostaglandins ... |
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Novel squalene-hopene cyclase inhibitors derived from hydroxycoumarins and hydroxyacetophenones.
Chem. Pharm. Bull. 52(10) , 1171-4, (2004) Squalene-hopene cyclase (SHC) is a useful model enzyme for predicting molecular interactions with oxidosqualene cyclase (OSC). Structure--activity relationships were investigated for numerous coumarin... |
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MALDI mass spectrometry in the solution of some forensic problems.
Forensic Sci. Int. 146 Suppl , S83-5, (2004)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,6-Dihydroxyacetophenone |
| MFCD00002270 |
| EINECS 211-833-6 |
| 1-(2,6-Dihydroxyphenyl)ethanone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2',6'-Dihydroxyacetophenone? |
| A: Polar surface area (PSA) of 2',6'-Dihydroxyacetophenone is 57.53000. |
| Q: What is the boiling point of 2',6'-Dihydroxyacetophenone? |
| A: Boiling point of 2',6'-Dihydroxyacetophenone is 262.8±20.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 2',6'-Dihydroxyacetophenone? |
| A: SMILES notation of 2',6'-Dihydroxyacetophenone is CC(=O)c1c(O)cccc1O. |
| Q: What is the melting point of 2',6'-Dihydroxyacetophenone? |
| A: Melting point of 2',6'-Dihydroxyacetophenone is 156-158 °C(lit.). |
| Q: What is the InChIKey of 2',6'-Dihydroxyacetophenone? |
| A: InChIKey of 2',6'-Dihydroxyacetophenone is YPTJKHVBDCRKNF-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 2',6'-Dihydroxyacetophenone? |
| A: Related upstream materials(CAS) of 2',6'-Dihydroxyacetophenone: 75-36-5;95-50-1;108-46-3;108-58-7;144152-28-3;2555-29-5;52956-20-4;4056-73-9;7783-06-4;76434-54-3. |
| Q: What are the uses of 2',6'-Dihydroxyacetophenone? |
| A: Main uses of 2',6'-Dihydroxyacetophenone: 2,6-Dihydroxyacetophenone is an endogenous metabolite. |
| Q: What is the LogP of 2',6'-Dihydroxyacetophenone? |
| A: LogP of 2',6'-Dihydroxyacetophenone is 2.28. |
| Q: What is the molecular weight of 2',6'-Dihydroxyacetophenone? |
| A: Molecular weight of 2',6'-Dihydroxyacetophenone is 152.147. |
| Q: What is the CAS number of 2',6'-Dihydroxyacetophenone? |
| A: CAS number of 2',6'-Dihydroxyacetophenone is 699-83-2. |
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. |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |