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

2-Acetyl-5-Methylfuran

HCID 14514
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Grundinformationen

CAS
1193-79-9
Standard-SMILES
CC(=O)c1ccc(C)o1
InChIKey
KEFJLCGVTHRGAH-UHFFFAOYSA-N
Summenformel
C7H8O2
Durchschnittliche Molmasse
124,14 g/mol
Monoisotopische Masse
124,0524295

Überblick

2-acetyl-5-methylfuran is a furan carrying acetyl and methyl substituents at the 2- and 5-positions respectively. It is a member of furans, a methyl ketone and an aromatic ketone.

Namen und Bezeichner

Bevorzugter Name
2-Acetyl-5-Methylfuran
IUPAC
1-(5-methylfuran-2-yl)ethanone
Lokaler Name
1-(5-Methyl-2-furyl)ethan-1-on
Englischer Name
5-Methyl-2-acetylfuran
Summenformel
C7H8O2
Molmasse
124.14

Namen und Synonyme

2-ACETYL-5-METHYLFURAN1193-79-91-(5-methylfuran-2-yl)ethanone1-(5-Methyl-2-furyl)ethanoneEthanone, 1-(5-methyl-2-furanyl)-5-Methyl-2-furylmethylketone1-(5-Methyl-2-furanyl)ethanone1-(5-Methyl-2-furyl)ethan-1-oneFuran, 2-acetyl-5-methyl-Methyl 5-methyl-2-furyl ketoneFEMA No. 36091-(5-methylfuran-2-yl)ethan-1-one
Weitere Namen anzeigen
FEMA 36092-Acetyl, 5-mefuran5-Methyl-2-acetalfuran2-acetyl-5-methyl-fura2-METHYL-5-ACETYLFURAN5-Acetyl-2-methylfuran5-Methyl-Z-acetylfuran5-Methy-2-Acetyl lfuran2-ACETYL-5-METHYLFURANE
NSC-80404CHEBI:562752IY49408H2ODTXSID70152409RefChem:84981DTXCID2074900214-779-15-Methyl-2-acetylfuran

Datenbank-Bezeichner

CAS
1193-79-9
PubChem CID
14514
DTXSID
DTXSID70152409
ChEMBL
CHEMBL455506
ChEBI
CHEBI:562752
UNII
IY49408H2O
EC Number
214-779-1
Nikkaji
J40.148J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
30,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (2-Acetyl-5-methylfuran) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.065-1.074
Flavoring AgentsEU Flavoring substances
Solubility · 3 Einträge

slightly

Slightly soluble in water; Soluble in corn oil

Soluble (in ethanol)

Physikochemische Eigenschaften

Schmelzpunkt
2 °C · 2 °C
Siedepunkt
100 · 100-101 °C/25 mmHg (lit.)
Dichte
1.066 g/mL · 1.066 g/mL at 25 °C (lit.)
Dampfdichte
1 · >1 (vs air)
Brechungsindex
20 · n20/D 1.512(lit.)
FEMA
3609 · 3609 | 2-ACETYL-5-METHYLFURAN

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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 CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk
3
ridadr
2810
hs_code
29321900
RTECS-Nr.
LT8528000
risk_code
22
Toxizität
mouse,LD50,oral,438mg/kg (438mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 3 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Anwendungen · 2 Einträge

OccurrenceReported 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.

VerwendenGlucose 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.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter100 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]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A furan carrying acetyl and methyl substituents at the 2- and 5-positions respectively.

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