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299553

Sigma-Aldrich

2-Acetyl-5-methylfuran

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
EC Number:
214-779-1
MDL number:
MFCD00003243
UNSPSC Code:
12352100
PubChem Substance ID:
24858047
NACRES:
NA.22

vapor density

>1 (vs air)

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

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General description

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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

176.0 °F - closed cup

Flash Point(C)

80 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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
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
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

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