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.