1-(5-Methyl-2-furyl)ethan-1-on

2-ACETYL-5-METHYLFURAN · FEMA 3609 · 2-Acetyl, 5-mefuran · 5-Methyl-2-acetalfuran · 2-acetyl-5-methyl-fura · 2-METHYL-5-ACETYLFURAN · 5-Acetyl-2-methylfuran · 5-Methyl-Z-acetylfuran

https://huagongshe.com/de/chemical/14514

Molekülstruktur von 1-(5-Methyl-2-furyl)ethan-1-on

Identifikatoren & physikalische Daten

CAS No.	1193-79-9
Summenformel	C7H8O2
Durchschnittliche Molmasse	124,14 g/mol
Monoisotopische Masse	124,0524295 g/mol
SMILES	CC(=O)c1ccc(C)o1
InChIKey	KEFJLCGVTHRGAH-UHFFFAOYSA-N
PubChem CID	14514
ChEMBL	CHEMBL455506
ChEBI	CHEBI:562752
EC No.	214-779-1
DTXSID	DTXSID70152409
Lokaler Name	1-(5-Methyl-2-furyl)ethan-1-on

Chemische & physikalische Eigenschaften

XLogP	1,4
Polarare Oberfläche (TPSA)	30,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	9
Formalladung	0
Komplexität	120
SpringerMaterials Properties	Chemical shift
Duftstoffe	Fragrance Ingredient (2-Acetyl-5-methylfuran) -> IFRA transparency List
Lebensmittelzusatzstoffe	FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte	1.065-1.0741.066 g/mL at 25 °C (lit.)
Aromastoffe	EU Flavoring substances
Löslichkeit	slightlySlightly soluble in waterSoluble in corn oilSoluble (in ethanol)Chloroform (Soluble), Methanol (Slightly)Slightly soluble in water. Soluble in alcohol.
Siedepunkt	100.00 to 101.00 °C. @ 25.00 mm Hg71-72 °C (8 mm Hg)100-101 °C/25 mmHg (lit.)
Brechungsindex	1.511-1.517n20/D 1.512(lit.)
Physical Description	Clear to almost yellow orange liquidStrong, nutty, hay-coumarin odor
Schmelzpunkt	2 °C
Dampfdichte	>1 (vs air)
FEMA	3609 \| 2-ACETYL-5-METHYLFURAN
Flammpunkt	176 °F
Lagerbedingungen	Inert atmosphere,Room Temperature
Aggregatzustand	clear liquid
Wichte	1.066
Farbe	Light yellow to Brown
Geruch	at 0.10 % in dipropylene glycol. strong musty nutty hay coconut coumarin milky
Geruchsart	nutty
Biologische Quelle	synthetic
JECFA Number	1504
BRN	110853
Hauptanwendungen	cleaning productscosmeticsfood and beveragespersonal care
InChI	1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
InChIKey	KEFJLCGVTHRGAH-UHFFFAOYSA-N
SMILES	CC(=O)c1ccc(C)o1
LogP (Verteilungskoeffizient)	0.98
CAS Datenbank	1193-79-9(CAS DataBase Reference)
NIST chemische Informationen	2-Acetyl-5-methylfuran(1193-79-9)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1594 reports by companies from 3 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Chemical: Ethanone, 1-(5-methyl-2-furanyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Ethanone, 1-(5-methyl-2-furanyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	2810
Zollcode	29321900
RTECS-Nr.	LT8528000
R-Sätze (R)	22
Toxizität	mouse,LD50,oral,438mg/kg (438mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
Gefahrensymbole	Xn,Xi
hazard_note	Harmful
Sicherheitshinweise (S)	36
Gefahrenklasse	6.1(b)Acute Tox. 4 Oral
Verpackungsgruppe	III
Lagerklasse	10 - Combustible liquids

Anwendungen & Verwendung

Occurrence

Reported found in coffee, roasted filberts, tomato juice, raisin, roasted onion, French fried potato, crispbread, smoked fatty fish, boiled/cooked beef, fried cured pork, beer, cognac, rum, malt whiskey, cocoa, black tea, wild rice (Zizania aquatuca), and squid.

Verwenden

Glucose was transformed to various furan compounds and carboxylic acids derivatives by heat treatment of autoclave such as levulinic acid, 2-acetylfuran and 2-acetyl-5-methylfuran. using 2-acetyl-5-methylfuran or 1,5-dimethyl-2-pyrrolecarbonitrile as reactants, that the formation of the 4-arylation products. Reaction of 2-acetyl-5-methylfuran 6a with 2-aminoethanol pioduced in 79% yield the aminal.