3-Methylcyclopentan-1,2-dion

Bezeichnung:3-Methylcyclopentan-1,2-dion

CAS-Nr765-70-8

Englisch Name:3-Methyl-1,2-cyclopentanedione

CBNumberCB6378985

SummenformelC6H8O2

Molgewicht112.13

MOL-Datei765-70-8.mol

Synonyma

3-Methylcyclopentan-1,2-dion

3-Methylcyclopentan-1,2-dion physikalisch-chemischer Eigenschaften

Schmelzpunkt	104-108 °C(lit.)
Siedepunkt	170.05°C (rough estimate)
Dichte	1.0795 (rough estimate)
FEMA	2700 \| METHYLCYCLOPENTENOLONE
Brechungsindex	1.4550 (estimate)
Flammpunkt	100 °C
storage temp.	Store below +30°C.
Löslichkeit	soluble in Methanol
Aggregatzustand	Powder
Farbe	White to off-white
Geruch (Odor)	at 10.00 % in dipropylene glycol. sweet caramel maple sugar coffee woody
Geruchsart	caramellic
Wasserlöslichkeit	soluble
maximale Wellenlänge (λmax)	259nm(EtOH)(lit.)
JECFA Number	418
BRN	2076520
InChI	1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3
InChIKey	OACYKCIZDVVNJL-UHFFFAOYSA-N
SMILES	CC1CCC(=O)C1=O
LogP	0.04
CAS Datenbank	765-70-8(CAS DataBase Reference)
NIST chemische Informationen	1,2-Cyclopentanedione, 3-methyl-(765-70-8)
EPA chemische Informationen	1,2-Cyclopentanedione, 3-methyl- (765-70-8)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38-43
S-Sätze:	22-24/25-36/37-26-36
WGK Germany	3
TSCA	TSCA listed
HS Code	29142900
Speicherklasse	11 - Combustible Solids

Gefahreninformationscode (GHS)

3-Methyl-1,2-cyclopentanedione Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R43:Sensibilisierung durch Hautkontakt möglich.
S-Sätze Betriebsanweisung:
S22:Staub nicht einatmen.
S24/25:Berührung mit den Augen und der Haut vermeiden.
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Beschreibung
Methylcyclopentenolone has a sweet flavor somewhat similar to licorice.
Chemische Eigenschaften
WHITE TO OFF-WHITE POWDER
Chemische Eigenschaften
Methylcyclopentenolone has a sweet flavor somewhat similar to licorice. This compound is also reported to have a nutty odor, and a maple-licorice aroma in dilute solution
Occurrence
Reported formed during the dry distillation of wood; found also in the corresponding tar oil; identified in fenugreek. Also reported found in black currants, onion, wheat bread, cured and cooked pork, beer, cocoa, coffee, barley, filbert, almond, sukiyaki, licorice, dried bonito and roasted chicory root
Definition
ChEBI: 3-Methyl-1,2-cyclopentanedione is a cyclic ketone.
synthetische
Sublimes and distills at atmospheric pressure with decomposition.
Aroma threshold values
Detection: 300 ppb
Taste threshold values
Taste characteristics at 5 ppm: sweet, maple, bready, caramellic with nutty nuances.
Synthesis Reference(s)
Synthesis, p. 104, 1975 DOI: 10.1055/s-1975-23673
Allgemeine Beschreibung
3-Methyl-1,2-cyclopentanedione is present in coffee and is capable of scavenging peroxynitrite. It also has anti-inflammatory effects.
Synthese

65313-46-4

765-70-8

1-Hydroxy-2,5-hexanedione (130 mg) was used as starting material and dissolved in water at 80 °C. Sodium bicarbonate (8.4 mg) was added as a catalyst and the reaction lasted for 12 hours. Upon completion of the reaction, extraction was carried out using chloroform to isolate the product. Purification by silica gel column chromatography afforded 3-methylcyclopentane-1,2-dione (91 mg) in 81% yield. The final product was analyzed by GC-MS and confirmed by comparison with 3-methylcyclopentane-1,2-dione standard.
Einzelnachweise
[1] Patent: CN108129278, 2018, A. Location in patent: Paragraph 0018-0025

3-Methyl-1,2-cyclopentanedione Upstream-Materialien And Downstream Produkte

3-Methylcyclopentan-1,2-dion Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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