4′-Hydroxy-2′-methylacetophenone
4′-Hydroxy-2′-methylacetophenone structure
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Common Name | 4′-Hydroxy-2′-methylacetophenone | ||
|---|---|---|---|---|
| CAS Number | 875-59-2 | Molecular Weight | 150.174 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 313.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C9H10O2 | Melting Point | 129-131 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 127.9±14.9 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of 4′-Hydroxy-2′-methylacetophenone4′-Hydroxy-2′-methylacetophenone, an aroma compound of red wines, is isolated from cv. Bobal grape variety. 4′-Hydroxy-2′-methylacetophenone has ciliate toxicity. 4′-Hydroxy-2′-methylacetophenone inhibits the growth of T. pyriformis, with an IC50 of 0.65 mM[1][2]. |
Summary: 4'-Hydroxy-2'-methylacetophenone (CAS号：875-59-2), also known as 4′-Hydroxy-2′-methylacetophenone, is a compound with molecular formula C9H10O2 and molecular weight 150.174. It is a colorless, transparent liquid with a melting point of 129-131°C and boiling point of 313.0°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 | 4-hydroxy-2-methylacetophenone |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 4′-Hydroxy-2′-methylacetophenone, an aroma compound of red wines, is isolated from cv. Bobal grape variety. 4′-Hydroxy-2′-methylacetophenone has ciliate toxicity. 4′-Hydroxy-2′-methylacetophenone inhibits the growth of T. pyriformis, with an IC50 of 0.65 mM[1][2]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 313.0±0.0 °C at 760 mmHg |
| Melting Point | 129-131 °C(lit.) |
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.174 |
| Flash Point | 127.9±14.9 °C |
| Exact Mass | 150.068085 |
| PSA | 37.30000 |
| LogP | 1.88 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.546 |
| InChIKey | IAMNVCJECQWBLZ-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc(O)cc1C |
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-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2914501900 |
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 | |
CAS#:122-46-3
CAS#:64-19-7
CAS#:108-39-4
CAS#:140-39-6
CAS#:64299-71-4
CAS#:59414-23-2
CAS#:108-24-7
CAS#:100-84-5
CAS#:75-36-5
CAS#:6921-64-8
CAS#:3470-49-3
CAS#:252561-46-9
CAS#:74331-69-4
CAS#:578-39-2
CAS#:1123-94-0
CAS#:24826-74-2
CAS#:22574-58-9This 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: Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase
Source: ChEMBL
Target: Inosine-5'-monophosphate dehydrogenase 1
External Id: CHEMBL699983
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-(4-Hydroxy-2-methylphenyl)ethanone |
| 4'-HYDROXY-2'-METHYLACETOPHENONE |
| EINECS 212-874-2 |
| MFCD00002303 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for 4-hydroxy-2-methylacetophenone? |
| A: Safety information for 4-hydroxy-2-methylacetophenone: S26-S37/39. |
| Q: What is the LogP of 4-hydroxy-2-methylacetophenone? |
| A: LogP of 4-hydroxy-2-methylacetophenone is 1.88. |
| Q: What is the boiling point of 4-hydroxy-2-methylacetophenone? |
| A: Boiling point of 4-hydroxy-2-methylacetophenone is 313.0±0.0 °C at 760 mmHg. |
| Q: What is the molecular formula of 4-hydroxy-2-methylacetophenone? |
| A: Molecular formula of 4-hydroxy-2-methylacetophenone is C9H10O2. |
| Q: What are the upstream materials of 4-hydroxy-2-methylacetophenone? |
| A: Related upstream materials(CAS) of 4-hydroxy-2-methylacetophenone: 122-46-3;64-19-7;108-39-4;140-39-6;64299-71-4;59414-23-2;108-24-7;100-84-5;75-36-5;6921-64-8. |
| Q: What English synonyms does 4-hydroxy-2-methylacetophenone have? |
| A: English synonyms of 4-hydroxy-2-methylacetophenone: 1-(4-Hydroxy-2-methylphenyl)ethanone, 4'-HYDROXY-2'-METHYLACETOPHENONE, EINECS 212-874-2, MFCD00002303. |
| Q: What are the downstream products of 4-hydroxy-2-methylacetophenone? |
| A: Related downstream products(CAS) of 4-hydroxy-2-methylacetophenone: 3470-49-3;6921-64-8;108-39-4;252561-46-9;74331-69-4;578-39-2;122-46-3;1123-94-0;24826-74-2;22574-58-9. |
| Q: What is the polar surface area (PSA) of 4-hydroxy-2-methylacetophenone? |
| A: Polar surface area (PSA) of 4-hydroxy-2-methylacetophenone is 37.30000. |
| Q: What is the melting point of 4-hydroxy-2-methylacetophenone? |
| A: Melting point of 4-hydroxy-2-methylacetophenone is 129-131 °C(lit.). |
| Q: What is the SMILES notation of 4-hydroxy-2-methylacetophenone? |
| A: SMILES notation of 4-hydroxy-2-methylacetophenone is CC(=O)c1ccc(O)cc1C. |
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. |