6-Methyl-2H-1-benzopyran-2-on

Bezeichnung:6-Methyl-2H-1-benzopyran-2-on

CAS-Nr92-48-8

Englisch Name:6-Methylcoumarin

CBNumberCB8691534

SummenformelC10H8O2

Molgewicht160.17

MOL-Datei92-48-8.mol

Synonyma

6-Methylcumarin

6-Methyl-2H-1-benzopyran-2-on

6-Methyl-2H-1-benzopyran-2-on physikalisch-chemischer Eigenschaften

Schmelzpunkt	73-76 °C (lit.)
Siedepunkt	303 °C/725 mmHg (lit.)
Dichte	1.0924 (rough estimate)
Brechungsindex	1.5300 (estimate)
FEMA	2699 \| 6-METHYLCOUMARIN
Flammpunkt	303°C/725mm
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	DMSO : ≥ 125 mg/mL (780.42 mM)
Aggregatzustand	powder to crystal
Farbe	White to Almost white
Geruch (Odor)	at 1.00 % in dipropylene glycol. coconut creamy powdery coumarinic tonka cinnamyl vanilla floral earthy
Geruchsart	coconut
JECFA Number	1172
BRN	4222
LogP	1.85
CAS Datenbank	92-48-8(CAS DataBase Reference)
NIST chemische Informationen	2H-1-Benzopyran-2-one, 6-methyl-(92-48-8)
EPA chemische Informationen	6-Methylcoumarin (92-48-8)

Sicherheit

Kennzeichnung gefährlicher	Xn
R-Sätze:	22-42/43
S-Sätze:	22-36/37-45
WGK Germany	3
RTECS-Nr.	GN7792000
TSCA	Yes
HS Code	29321900
Giftige Stoffe Daten	92-48-8(Hazardous Substances Data)
Toxizität	The acute oral LD₅₀ value in rats was reported to be 1.68 g/kg (1.43-1.93 g/kg) (Moreno, 1973). The acute dermal LD₅₀ value in rabbits exceeded 5 g/kg (Moreno, 1973).

Gefahreninformationscode (GHS)

6-Methylcoumarin Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R22:Gesundheitsschädlich beim Verschlucken.
R42/43:Sensibilisierung durch Einatmen und Hautkontakt möglich.
S-Sätze Betriebsanweisung:
S22:Staub nicht einatmen.
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn möglich, dieses Etikett vorzeigen).
Chemische Eigenschaften
6-methylcoumarin is a white to almost white crystalline powder with has a somewhat coconut-like odor. the odor is also characterized as having a delicate fig or date sweetness. it has an almost bitter taste above 50 ppm, turning sweet and vanilla-like at lower levels. soluble in benzene, hot ethanol and non-volatile oil, insoluble in hot water.
Occurrence
Has apparently not been reported to occur in nature
Verwenden
6-Methylcoumarin is a synthetic fragrance in cosmetics, toiletries and soaps. It mainly used to prepare flavors such as coconut, vanilla and caramel.
synthetische
6-methylcoumarin is synthesized from p-cresol and fumaric acid. Preheat 72% sulfuric acid to 80 °C, add a mixture of fumaric acid and p-cresol, keep the reaction at 160-170 °C for 3-4 hours, cool, pour into crushed ice to precipitate a precipitate, and filter. The filtrate was extracted with benzene, and after adding benzene, the obtained crude product was subjected to vacuum distillation to obtain 6-methylcoumarin.
synthesis of 6-methylcoumarin: By heating 6-methyl coumarin-3-carboxylic acid to 300 to 340°C; by condensation of p-cresol-disulfonic acid with fumaric acid in the presence of H2SO4; by condensation of p-homosalicyclic aldehyde with malonic acid in the presence of aniline, followed by heating for the lactone; from salicylaldehyde with propionic acid anhydride and sodium propionate.
Definition
ChEBI: 6-methylcoumarin is a member of the class of coumarins that is coumarin in which the hydrogen at position 6 is replaced by a methyl group. It has a role as a fragrance and an allergen.
Aroma threshold values
Aroma characteristics at 1.0%: sweet vanilla cake, creamy, coconut, coumarin-like and powdery, with herbaceous hay and tonka-like nuances.
Taste threshold values
Taste characteristics at 5 ppm: coconut, sweet vanilla, dairy creamy, hay-like with anisic and coumarin nuances.
Synthesis Reference(s)
Tetrahedron, 62, p. 6918, 2006 DOI: 10.1016/j.tet.2006.04.080
Allgemeine Beschreibung
6-methylcoumarin appears as white crystals with a flavor of vanilla. Insoluble in water. (NTP, 1992)
Air & Water Reaktionen
Insoluble in water.
Reaktivität anzeigen
Ketones, such as 6-Methylcoumarin, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.
Brandgefahr
6-Methylcoumarin is combustible.
Biochem/physiol Actions
Taste at 5 ppm
Sicherheitsprofil
Poison by subcutaneous route. Moderately toxic by ingestion. A skin irritant. Mutation data reported. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.

6-Methylcoumarin Upstream-Materialien And Downstream Produkte

6-Methyl-2H-1-benzopyran-2-on Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

92-48-8, 6-Methylcoumarin Verwandte Suche:

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