2-Hydroxy-5-methylacetophenon

Bezeichnung:2-Hydroxy-5-methylacetophenon

CAS-Nr1450-72-2

Englisch Name:1-(2-Hydroxy-5-methylphenyl)ethanone

CBNumberCB7477191

SummenformelC9H10O2

Molgewicht150.17

MOL-Datei1450-72-2.mol

Synonyma

2-Hydroxy-5-methylacetophenon

2-Hydroxy-5-methylacetophenon physikalisch-chemischer Eigenschaften

Schmelzpunkt	45-48 °C(lit.)
Siedepunkt	112-114°C 12mm
Dichte	1.079
FEMA	4594 \| 2-HYDROXY-5-METHYLACETOPHENONE
Brechungsindex	1.5369 (estimate)
Flammpunkt	>230 °F
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	DMSO : 50 mg/mL (332.96 mM; Need ultrasonic)
Aggregatzustand	powder to crystal
pka	10.46±0.18(Predicted)
Farbe	Light orange to Yellow to Green
Geruch (Odor)	at 1.00 % in dipropylene glycol. sweet heavy floral herbal
Geruchsart	floral
Wasserlöslichkeit	Insoluble in water.
JECFA Number	2045
BRN	1364840
InChI	1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3
InChIKey	YNPDFBFVMJNGKZ-UHFFFAOYSA-N
SMILES	Cc1ccc(O)c(c1)C(C)=O
LogP	2.52
CAS Datenbank	1450-72-2(CAS DataBase Reference)
NIST chemische Informationen	Ethanone, 1-(2-hydroxy-5-methylphenyl)-(1450-72-2)
EPA chemische Informationen	Ethanone, 1-(2-hydroxy-5-methylphenyl)- (1450-72-2)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-37/39
WGK Germany	3
Hazard Note	Irritant
TSCA	TSCA listed
HS Code	29147000
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

1-(2-Hydroxy-5-methylphenyl)ethanone Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
yellow crystalline powder
Verwenden
2'-Hydroxy-5'-methylacetophenone is used to produce 2-ethyl-4-methyl-phenol. It is used as an intermediate in organic synthesis.
synthetische
Obtained by treatment of methyl 4-hydroxy-6-methyl-coumarin-3-carboxylate with potassium hydroxide at 200° (82%).
Definition
ChEBI: 2'-Hydroxy-5'-methylacetophenone is an aromatic ketone.
Synthese

140-39-6

1450-72-2

The general procedure for the synthesis of 2-hydroxy-5-methylacetophenone from p-cresyl acetate was as follows: p-tolyl acetate (10 g, 0.067 mol) and aluminum chloride (10.7 g, 0.08 mol) were added to a 500-mL round-bottomed flask. The reaction mixture was heated in an oil bath at 140-150°C for 5-6 hours. The reaction process was monitored by thin layer chromatography (TLC) using ethyl acetate:hexane as the unfolding agent. After completion of the reaction, the reaction mixture was quenched with crushed ice and the resulting solid product was extracted with ethyl acetate (2 x 50 mL). The organic phase was washed with brine solution (2 x 15 mL) and dried with anhydrous sodium sulfate. Subsequently, the solvent was removed by distillation under reduced pressure to give the crude product. The crude product was purified by aqueous ethanol recrystallization to afford the target compound 2-hydroxy-5-methylacetophenone in 92% yield with a melting point of 45-48°C.
Einzelnachweise
[1] Journal of Organic Chemistry, 1981, vol. 46, p. 4971 - 4975
[2] Journal of Chemical Research, Miniprint, 2003, # 12, p. 1258 - 1270
[3] Journal of Chemical Research, Synopses, 1999, # 9, p. 574 - 575
[4] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1996, vol. 35, # 7, p. 734 - 736
[5] Journal of Chemical Research, Miniprint, 1998, # 10, p. 2678 - 2695

1-(2-Hydroxy-5-methylphenyl)ethanone Upstream-Materialien And Downstream Produkte

2-Hydroxy-5-methylacetophenon Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

1450-72-2, 1-(2-Hydroxy-5-methylphenyl)ethanone Verwandte Suche:

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