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Merck

W320218

Sigma-Aldrich

Methyl 2-pyrrolyl ketone

≥98%, FG

Sinónimos:

2-Acetylpyrrole, Methyl 2-pyrrolyl ketone

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About This Item

Fórmula empírica (notación de Hill):
C6H7NO
Número de CAS:
Peso molecular:
109.13
Número de FEMA:
3202
Beilstein:
1882
Número CE:
nº del Consejo Europeo:
4035
Número MDL:
Código UNSPSC:
12164502
ID de la sustancia en PubChem:
Número Flavis:
14.047
NACRES:
NA.21

origen biológico

synthetic

Nivel de calidad

grado

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

cumplimiento norm.

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

Ensayo

≥98%

bp

220 °C (lit.)

mp

88-93 °C (lit.)

aplicaciones

flavors and fragrances

Documentación

see Safety & Documentation for available documents

alérgeno alimentario

no known allergens

alérgeno de la fragancia

no known allergens

Organoléptico

bread; coumarin; licorice; musty; nutty; walnut

cadena SMILES

CC(=O)c1ccc[nH]1

InChI

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

Clave InChI

IGJQUJNPMOYEJY-UHFFFAOYSA-N

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Aplicación


  • RIFM fragrance ingredient safety assessment, methyl 2-pyrrolyl ketone, CAS Registry Number 1072-83-9.: This research presents a safety assessment of methyl 2-pyrrolyl ketone for its use in fragrances, highlighting its toxicological profile and regulatory considerations (Api AM, Belsito D, Botelho D, et al., 2024, Api et al., 2024).

Código de clase de almacenamiento

13 - Non Combustible Solids

Clase de riesgo para el agua (WGK)

WGK 3

Equipo de protección personal

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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