2',4',6'-Trihydroxy-2-phenylacetophenone
2',4',6'-Trihydroxy-2-phenylacetophenone structure
|
Common Name | 2',4',6'-Trihydroxy-2-phenylacetophenone | ||
|---|---|---|---|---|
| CAS Number | 727-71-9 | Molecular Weight | 244.24300 | |
| Density | 1.38g/cm3 | Boiling Point | 441.5ºC at 760 mmHg | |
| Molecular Formula | C14H12O4 | Melting Point | 161-165ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | 234.9ºC | |
| Symbol |
GHS05, GHS07, GHS09 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,4,6-trihydroxy phenyl benzyl ketone |
|---|---|
| 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 | 1.38g/cm3 |
|---|---|
| Boiling Point | 441.5ºC at 760 mmHg |
| Melting Point | 161-165ºC(lit.) |
| Molecular Formula | C14H12O4 |
| Molecular Weight | 244.24300 |
| Flash Point | 234.9ºC |
| Exact Mass | 244.07400 |
| PSA | 77.76000 |
| LogP | 2.22880 |
| Index of Refraction | 1.674 |
| InChIKey | SLHBRIIHMDJIBT-UHFFFAOYSA-N |
| SMILES | O=C(Cc1ccccc1)c1c(O)cc(O)cc1O |
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 |
GHS05, GHS07, GHS09 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H317-H318-H400 |
| Precautionary Statements | P273-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xi |
| Risk Phrases | R41 |
| Safety Phrases | S37-S39 |
| RIDADR | UN 3077 9 / PGIII |
| HS Code | 2914501900 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~71%
2',4',6'-Trihyd... CAS#:727-71-9 |
| Literature: Ng, Lean-Teik; Ko, Horng-Huey; Lu, Tzy-Ming Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 13 p. 4360 - 4366 |
|
~40%
2',4',6'-Trihyd... CAS#:727-71-9 |
| Literature: Lin, Chun-Mao; Huang, Sheng-Tung; Lee, Fu-Wei; Kuo, Hsien-Saw; Lin, Mei-Hsiang Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 13 p. 4402 - 4409 |
|
~%
2',4',6'-Trihyd... CAS#:727-71-9 |
| Literature: US5235109 A1, ; |
|
~%
2',4',6'-Trihyd... CAS#:727-71-9 |
| Literature: Bulletin de la Societe Chimique de France, , p. 2309 - 2322 |
|
~49%
2',4',6'-Trihyd... CAS#:727-71-9 |
| Literature: Devi, Nirada; Jain, Niveta; Krishnamurty, H. G. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1993 , vol. 32, # 8 p. 874 - 875 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 6 | |
CAS#:4222-02-0
CAS#:143207-80-1
CAS#:4044-00-2
CAS#:26964-35-2
CAS#:39604-66-5
CAS#:844-95-1This 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 contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antioxidant activity assessed as superoxide anion radical scavenging activity by spec...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL1061459
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Name: Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC 4330 ...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL5637252
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Name: Antioxidant activity assessed as ABTS radical scavenging activity
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL1061457
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Name: Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC 3392 ...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL5637253
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Name: Antioxidant activity assessed as DPPH radical scavenging activity incubated at 40 deg...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1061458
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Name: Antioxidant activity assessed as ferrous ion chelating effect after 10 mins
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL1061455
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Name: Antioxidant activity assessed as potassium ferric cyanide ion reducing power after 10...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL1061456
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Name: Inhibition of human amyloid beta (1 to 42) self-induced aggregation at 50 uM by Thiof...
Source: ChEMBL
Target: Amyloid-beta precursor protein
External Id: CHEMBL4671312
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Name: Antioxidant activity assessed as inhibition of FeCl2-induced lipid peroxidation by th...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL1061454
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (phenylmethyl)-(2,4,6-trihydroxyphenyl)-ketone |
| 2,3-DIHYDROXY-DL-PHENYLALANINE |
| 2-PHENYL-1-(2,4,6-TRIHYDROXYPHENYL)ETHAN-1-ONE |
| 2-PHENYL-2',4',6'-TRIHYDROXYACETOPHENONE |
| 2,4,6-trihydroxyphenylbenzylketone |
| 1-(2,4,6-TRIHYDROXYPHENYL)-2-PHENYLETHANONE |
| MFCD00205539 |
| 2-phenyl-1-(2,4,6-trihydroxyphenyl)ethanone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 2,4,6-trihydroxy phenyl benzyl ketone? |
| A: LogP of 2,4,6-trihydroxy phenyl benzyl ketone is 2.22880. |
| Q: What is the melting point of 2,4,6-trihydroxy phenyl benzyl ketone? |
| A: Melting point of 2,4,6-trihydroxy phenyl benzyl ketone is 161-165ºC(lit.). |
| Q: What is the SMILES notation of 2,4,6-trihydroxy phenyl benzyl ketone? |
| A: SMILES notation of 2,4,6-trihydroxy phenyl benzyl ketone is O=C(Cc1ccccc1)c1c(O)cc(O)cc1O. |
| Q: What is the molecular weight of 2,4,6-trihydroxy phenyl benzyl ketone? |
| A: Molecular weight of 2,4,6-trihydroxy phenyl benzyl ketone is 244.24300. |
| Q: What is the CAS number of 2,4,6-trihydroxy phenyl benzyl ketone? |
| A: CAS number of 2,4,6-trihydroxy phenyl benzyl ketone is 727-71-9. |
| Q: What is the boiling point of 2,4,6-trihydroxy phenyl benzyl ketone? |
| A: Boiling point of 2,4,6-trihydroxy phenyl benzyl ketone is 441.5ºC at 760 mmHg. |
| Q: What English synonyms does 2,4,6-trihydroxy phenyl benzyl ketone have? |
| A: English synonyms of 2,4,6-trihydroxy phenyl benzyl ketone: (phenylmethyl)-(2,4,6-trihydroxyphenyl)-ketone, 2,3-DIHYDROXY-DL-PHENYLALANINE, 2-PHENYL-1-(2,4,6-TRIHYDROXYPHENYL)ETHAN-1-ONE, 2-PHENYL-2',4',6'-TRIHYDROXYACETOPHENONE, 2,4,6-trihydroxyphenylbenzylketone, 1-(2,4,6-TRIHYDROXYPHENYL)-2-PHENYLETHANONE, MFCD00205539, 2-phenyl-1-(2,4,6-trihydroxyphenyl)ethanone. |
| Q: What is the safety information for 2,4,6-trihydroxy phenyl benzyl ketone? |
| A: Safety information for 2,4,6-trihydroxy phenyl benzyl ketone: S37-S39. |
| Q: What is the polar surface area (PSA) of 2,4,6-trihydroxy phenyl benzyl ketone? |
| A: Polar surface area (PSA) of 2,4,6-trihydroxy phenyl benzyl ketone is 77.76000. |
| Q: What are the downstream products of 2,4,6-trihydroxy phenyl benzyl ketone? |
| A: Related downstream products(CAS) of 2,4,6-trihydroxy phenyl benzyl ketone: 4222-02-0;143207-80-1;4044-00-2;26964-35-2;39604-66-5;844-95-1. |
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. |