CAS Number875-59-2
Synonyms1-(4-Hydroxy-2-methylphenyl)ethanone; EINECS 212-874-2; MFCD00002303
Molecular FormulaC9H10O2
Molecular Weight329.61
Purity98%
Density1.1±0.1 g/cm3
Boiling Point313.0±0.0 °C at 760 mmHg
Melting Point129-131 °C(lit.)
Appearancesolid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 875-59-2 |
| Catalog No. | 2A-9005839 |
| Chinese Name | 4'-羟基-2'-甲基苯乙酮 |
| Synonyms | 1-(4-Hydroxy-2-methylphenyl)ethanone; EINECS 212-874-2; MFCD00002303 |
| Molecular Formula | C9H10O2 |
| Molecular Weight | 329.61 |
| Purity | 98 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 313.0±0.0 °C at 760 mmHg |
| Melting Point | 129-131 °C(lit.) |
| Appearance | solid |
| Storage Condition | Keep container sealed and stored in a cool, dry pl |
| Application | 4′-Hydroxy-2′-methylacetophenone is a red wine aroma compound isolated from the cv. Bobal grape variety. 4′-Hydroxy-2′-methylacetophenone is ciliate toxic. 4′-Hydroxy-2′-methylacetophenone inhibits th |
| HTC | 2914501900 |
| PubChem ID | 329815643 |
| MDL Number | MFCD03412051 |
| SMILES | Cc1cc(O)c(cc1Cl)C(=O)Cc2ccc(Cl)cc2Cl |
| InChI | 1S/C15H11Cl3O2/c1-8-4-14(19)11(7-12(8)17)15(20)5-9-2-3-10(16)6-13(9)18/h2-4,6-7,19H,5H2,1H3 |
| InChI Key | WUNHWDCMMVSCDG-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| Hazard Symbols | Xi |
| Risk Codes | R36/37/38 |
| Safety Description | S26-37/39 |
| MSDS | msds/5839_1_875_59_2.pdf |
| Bioactivity | 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]. Related Catalog Research Areas >> Infection References [1]. GómezGarcía-Carpintero E, et, al. Aroma characterization of red wines from cv. Bobal grape variety grown in La Mancha region. Food Research International. 2011 Jan; 44(1): 61-70. [2]. Schüürmann G, et, al. Stepwise discrimination between four modes of toxic action of phenols in the Tetrahymena pyriformis assay. Chem Res Toxicol. 2003 Aug;16(8):974-87. Chemical & Physical Properties 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 |
| Use of | Properties Name 4-hydroxy-2-methylacetophenone Synonym More Synonyms 4′-Hydroxy-2′-methylacetophenone Biological Activity Related Catalog Research Areas >> Infection References [1]. GómezGarcía-Carpintero E, et, al. Aroma characterization of red wines from cv. Bobal grape variety grown in La Mancha region. Food Research International. 2011 Jan; 44(1): 61-70. [2]. Schüürmann G, et, al. Stepwise discrimination between four modes of toxic action of phenols in the Tetrahymena pyriformis assay. Chem Res Toxicol. 2003 Aug;16(8):974-87. Chemical & Physical Properties Molecular Formula C9H10O2 Exact Mass 150.068085 PSA 37.30000 Index of Refraction 1.546 InChIKey IAMNVCJECQWBLZ-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards 4'-Hydroxy-2'-methylacetophenone Modification number: 5 Module 14. Shipping information UN number: not specified |
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