| Identification | More | [Name]
4'-Hydroxy-3'-methylacetophenone | [CAS]
876-02-8 | [Synonyms]
1-(4-HYDROXY-3-METHYLPHENYL)ETHAN-1-ONE
1-(4-HYDROXY-3-METHYLPHENYL)ETHANONE
4-ACETYL-2-METHYLPHENOL
4'-HYDROXY-3'-METHYLACETOPHENONE
4-HYDROXY-3-METHYLACETOPHENONE
Ethanone, 1-(4-hydroxy-3-methylphenyl)-
3'-Methyl-4'-Hydroxy Acetophenone
4'-Hydroxy-3'-methylacetophenone, 99.5+% | [EINECS(EC#)]
212-880-5 | [Molecular Formula]
C9H10O2 | [MDL Number]
MFCD00002231 | [Molecular Weight]
150.17 | [MOL File]
876-02-8.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light beige crystalline powder or | [Melting point ]
107-109 °C(lit.)
| [Boiling point ]
175°C 1mm | [density ]
1.0858 (rough estimate) | [refractive index ]
1.5180 (estimate) | [Fp ]
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 | [InChI]
1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3 | [InChIKey]
LXBHHIZIQVZGFN-UHFFFAOYSA-N | [SMILES]
CC(=O)c1ccc(O)c(C)c1 | [LogP]
1.395 (est) | [CAS DataBase Reference]
876-02-8(CAS DataBase Reference) | [NIST Chemistry Reference]
4-Hydroxy-3-methylacetophenone(876-02-8) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S22:Do not breathe dust .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29143990 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
white to light beige crystalline powder or | [Uses]
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). | [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. | [Preparation]
Preparation by dealkylation of 4-hydroxy-5-methyl-2-iso-propylacetophenone with aluminium chloride in chloro-benzene at 50° (53%). | [Synthesis Reference(s)]
Journal of Medicinal Chemistry, 23, p. 738, 1980 DOI: 10.1021/jm00181a008 |
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J & K SCIENTIFIC LTD.
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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Jia Xing Isenchem Co.,Ltd
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