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299553

2-Acetyl-5-methylfuran

Name: 2-Acetyl-5-methylfuran
Brand: ALDRICH

98%

Synonym(s):

NSC 80404

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About This Item

Empirical Formula (Hill Notation):

C₇H₈O₂

CAS Number:

1193-79-9

Molecular Weight:

124.14

NACRES:

NA.22

PubChem Substance ID:

24858047

UNSPSC Code:

12352100

EC Number:

214-779-1

MDL number:

MFCD00003243

Assay:

98%

Form:

liquid

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Properties

vapor density

>1 (vs air)

Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.512 (lit.)

bp

100-101 °C/25 mmHg (lit.)

density

1.066 g/mL at 25 °C (lit.)

functional group

ketone

SMILES string

CC(=O)c1ccc(C)o1

InChI

1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3

InChI key

KEFJLCGVTHRGAH-UHFFFAOYSA-N

Description

General description

s-cis-trans isomerism of 2-acetyl-5-methylfuran was investigated by IR and NMR spectroscopy.

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pictograms

GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

176.0 °F - closed cup

flash_point_c

80 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Studies on the s-cis-trans isomerism for some furan derivatives through IR and NMR spectroscopies and theoretical calculations.

Roberto Rittner et al.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 103, 84-89 (2012-12-25)

The s-cis-trans isomerism of two furan derivatives [2-acetyl- (AF) and 2-acetyl-5-methylfuran, (AMF)] was analyzed, using data from the deconvolution of their carbonyl absorption band in two solvents (CH(2)Cl(2) and CH(3)CN). These infrared data showed that the O,O-trans conformers predominate in

Monitoring cytotoxic potentials of furfuryl alcohol and 2-furyl methyl ketone in mice.

P S Sujatha

Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 46(1), 286-292 (2007-10-02)

Furfuryl alcohol (FA) and 2-furyl methyl ketone (2FMK) are two dietary furans with wide industrial applications and also found in a variety of food items. In a mouse test system, the mutagenicity of these two compounds after five days of

Metabolism of 5-methyl-2-furaldehyde in rat. III. Identification and determination of 5-methyl-2-furylmethylketone.

J Jodynis-Liebert

Xenobiotica; the fate of foreign compounds in biological systems, 18(8), 887-892 (1988-08-01)

1. Continuous extraction, column chromatography and t.l.c. were employed to isolate a minor metabolite of 5-methyl-2-furaldehyde from rat urine. 2. The metabolite was identified by mass spectrometry and independent synthesis as 5-methyl-2-furylmethylketone. 3. A method for quantitative determination of the

Global Trade Item Number

SKU	GTIN
299553-5G	04061837714207
299553-25G	04061837714191