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W320218

Sigma-Aldrich

Methyl 2-pyrrolyl ketone

≥98%, FG

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Synonym(s):
2-Acetylpyrrole, Methyl 2-pyrrolyl ketone
Empirical Formula (Hill Notation):
C6H7NO
CAS Number:
Molecular Weight:
109.13
FEMA Number:
3202
Beilstein/REAXYS Number:
1882
EC Number:
Council of Europe no.:
4035
MDL number:
PubChem Substance ID:
Flavis number:
14.047

biological source

synthetic

Quality Level

grade

FG
Fragrance grade
Halal
Kosher

agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002

assay

≥98%

bp

220 °C (lit.)

mp

88-93 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

bread; coumarin; licorice; musty; nutty; walnut

SMILES string

CC(=O)c1ccc[nH]1

InChI

1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3

InChI key

IGJQUJNPMOYEJY-UHFFFAOYSA-N

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This Item
W342408W254430W267201
vibrant-m

W320218

Methyl 2-pyrrolyl ketone

vibrant-m

W342408

3-Acetylpyridine

vibrant-m

W254430

2-Heptanone

vibrant-m

W267201

4-(4-Methoxyphenyl)-2-butanone

grade

FG, Halal, Kosher, Fragrance grade

grade

FG, Fragrance grade, Halal, Kosher

grade

FG, Fragrance grade, Halal, Kosher, natural

grade

FG, Fragrance grade, Halal, Kosher

biological source

synthetic

biological source

synthetic

biological source

-

biological source

synthetic

food allergen

no known allergens

food allergen

no known allergens

food allergen

no known allergens

food allergen

no known allergens

fragrance allergen

no known allergens

fragrance allergen

no known allergens

fragrance allergen

no known allergens

fragrance allergen

no known allergens

assay

≥98%

assay

≥98%

assay

98%

assay

≥98%

Storage Class

13 - Non Combustible Solids

wgk_germany

WGK 3

ppe

dust mask type N95 (US), Eyeshields, Gloves


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Wen-Yong Liu et al.
Journal of Asian natural products research, 5(3), 159-163 (2003-08-23)
Three pyrrole alkaloids were isolated from Bolbostemma paniculatum. Their structures were elucidated as 4-(2-formyl-5-methoxymethylpyrrol-1-yl)butyric acid methyl ester (1), 2-(2-formyl-5-methoxymethylpyrrol-1-yl)-3-phenylpropionic acid methyl ester (2) and alpha-methyl pyrrole ketone (3) by spectroscopic techniques. Among them, 1 and 2 are new compounds.
Jin Ho Lee et al.
The Journal of organic chemistry, 78(3), 1283-1288 (2013-01-08)
A new synthetic route to indolizines with various substituents on the pyridine moiety was developed by utilizing a facile cycloaromatization of 2-acetylpyrrole derivatives. Without isolation, the resulting intermediates were allowed to react with various electrophiles to afford a range of
Ana Filipa L O M Santos et al.
The journal of physical chemistry. A, 113(15), 3630-3638 (2009-03-27)
A combined experimental and computational study on the thermochemistry of 2- and 3-acetylpyrroles was performed. The enthalpies of combustion and sublimation were measured by static bomb combustion calorimetry and Knudsen effusion mass-loss technique, respectively, and the standard (p(o) = 0.1
G C Yen et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 24(12), 1303-1308 (1986-12-01)
Three 2-substituted pyrroles (2-acetylpyrrole, pyrrole-2-carboxaldehyde and pyrrole-2-carboxylic acid), which are products of the Maillard browning reaction, were reacted with nitrite in buffer solution (pH 3) at 50 degrees C for 24 hr. The reaction mixtures were extracted with methylene chloride
Nobuo Ochiai et al.
Journal of chromatography. A, 1421, 103-113 (2015-08-16)
An extension of multi-volatile method (MVM) technology using the combination of a standard dynamic headspace (DHS) configuration, and a modified DHS configuration incorporating an additional vacuum module, was developed for milliliter injection volume of aqueous sample with full sample evaporation.

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