4'-Hydroxy-3'-methylacetophenone
- CAS NO.：876-02-8
- Empirical Formula: C9H10O2
- Molecular Weight: 150.17
- MDL number: MFCD00002231
- EINECS: 212-880-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-25 18:01:18
What is 4'-Hydroxy-3'-methylacetophenone?
Chemical properties
white to light beige crystalline powder or
The Uses of 4'-Hydroxy-3'-methylacetophenone
4''-Hydroxy-3''-methylacetophenone is used in the synthesis of 3-De(hydroxymethyl)-3-methyl Salmeterol (D230650), which is an impurity of β2-Adrenergic agonist Salmeterol (S090100).
Preparation
Preparation by dealkylation of 4-hydroxy-5-methyl-2-iso-propylacetophenone with aluminium chloride in chloro-benzene at 50° (53%).
Definition
ChEBI: 4-hydroxy-3-methylacetophenone is a monohydroxyacetophenone that is acetophenone carrying methyl and hydroxy groups at positions 3 and 4, respectively. It has a role as a volatile oil component and an insect attractant. It is a monohydroxyacetophenone, a member of phenols and a hydroxytoluene. It is functionally related to an acetophenone.
Synthesis Reference(s)
Journal of Medicinal Chemistry, 23, p. 738, 1980 DOI: 10.1021/jm00181a008
Properties of 4'-Hydroxy-3'-methylacetophenone
| Melting point: | 107-109 °C(lit.) |
| Boiling point: | 175°C 1mm |
| Density | 1.0858 (rough estimate) |
| refractive index | 1.5180 (estimate) |
| Flash point: | 175°C/1mm |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 8.52±0.18(Predicted) |
| color | Off-White to Pale Beige |
| BRN | 2041839 |
| Stability: | Hygroscopic |
| CAS DataBase Reference | 876-02-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Hydroxy-3-methylacetophenone(876-02-8) |
Safety information for 4'-Hydroxy-3'-methylacetophenone
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 4'-Hydroxy-3'-methylacetophenone
4'-Hydroxy-3'-methylacetophenone manufacturer
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