4-Hydroxy-2-methylacetophenon

4-Hydroxy-2-methylacetophenone

HCID 70133CAS 875-59-2
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Grundinformationen

Standard-SMILES
CC(=O)c1ccc(O)cc1C
InChIKey
IAMNVCJECQWBLZ-UHFFFAOYSA-N
Summenformel
C9H10O2
Durchschnittliche Molmasse
150,17 g/mol
Monoisotopische Masse
150,06807956

Überblick

4-hydroxy-2-methylacetophenone is a member of the class of acetophenones that is acetophenone substituted by a hydroxy group at position 4 and a methyl group at position 2 respectively. It has a role as a metabolite. It is a member of acetophenones and a member of phenols.

Namen und Bezeichner

Bevorzugter Name
4-Hydroxy-2-methylacetophenone
IUPAC
1-(4-hydroxy-2-methylphenyl)ethanone
Lokaler Name
4-Hydroxy-2-methylacetophenon
Englischer Name
4'-HYDROXY-2'-METHYLACETOPHENONE
Summenformel
C9H10O2
Molmasse
150.17

Namen und Synonyme

875-59-24'-Hydroxy-2'-methylacetophenone1-(4-Hydroxy-2-methylphenyl)ethanone4-Hydroxy-2-methylacetophenone1-(4-hydroxy-2-methylphenyl)ethan-1-oneEthanone, 1-(4-hydroxy-2-methylphenyl)-2-Methyl-4-hydroxyacetophenone4-Acetyl-3-methylphenol8K85H86ZEDCHEBI:873141-acetyl-4-hydroxy-2-methylbenzeneEINECS 212-874-2
Weitere Namen anzeigen
2-Methyl-4-hydroxybenzaldehyde4'-Hdroxy-2'-methylacetophenone4-hydroxy-2-methylbenzenethylone4'-Hydroxy-2'-methylacetophenone>4-Hydroxy-2-Methylacetophenone 97 %
NSC-633642'-methyl-4'-hydroxyacetophenoneDTXSID60236363NSC 63364RefChem:523754DTXCID60158854212-874-2InChI=1/C9H10O2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-5,11H,1-2H

Datenbank-Bezeichner

CAS
875-59-2
PubChem CID
70133
DTXSID
DTXSID60236363
ChEMBL
CHEMBL47807
ChEBI
CHEBI:87314
UNII
8K85H86ZED
EC Number
212-874-2
Nikkaji
J112K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt
129 · 129-131 °C(lit.)
Siedepunkt
313 °C · 313 °C(lit.)
Dichte
1.059 g/mL · 1.059 g/mL at 25 °C(lit.)
Brechungsindex
1.5369 · 1.5369 (estimate)
storage temp.
Inert atmosphere,Room Temperature
Löslichkeit
soluble in Methanol

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk
3
hs_code
29145090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39-36
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden4''-Hydroxy-2''-methylacetophenone has been used in the preparation of morpholine ketone analogs as potent histamine H3 receptor inverse agonists with wake activity.

Darstellung

synthetischePreparation by dealkylation of 4-hydroxy-2-methyl-5-iso-propylacetophenone with aluminium chloride in chlorobenzene at 50° (80%).

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A member of the class of acetophenones that is acetophenone substituted by a hydroxy group at position 4 and a methyl group at position 2 respectively.

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