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W320218

Sigma-Aldrich

Methyl 2-pyrrolyl ketone

≥98%, FG

Sinônimo(s):

2-Acetylpyrrole, Methyl 2-pyrrolyl ketone

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About This Item

Fórmula empírica (Notação de Hill):
C6H7NO
Número CAS:
1072-83-9
Peso molecular:
109.13
Número FEMA:
3202
Beilstein:
1882
Número CE:
214-016-2
Conselho da Europa nº:
4035
Número MDL:
MFCD00005220
Código UNSPSC:
12164502
ID de substância PubChem:
24901550
Número de Flavis:
14.047
NACRES:
NA.21

fonte biológica

synthetic

Nível de qualidade

400

grau

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

conformidade reg.

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

Ensaio

≥98%

pb

220 °C (lit.)

pf

88-93 °C (lit.)

aplicação(ões)

flavors and fragrances

Documentação

see Safety & Documentation for available documents

alérgeno alimentar

no known allergens

alérgeno de fragrância

no known allergens

Organoléptico

bread; coumarin; licorice; musty; nutty; walnut

cadeia de caracteres SMILES

CC(=O)c1ccc[nH]1

InChI

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

chave InChI

IGJQUJNPMOYEJY-UHFFFAOYSA-N

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Categorias relacionadas

Aplicação


  • 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 classe de armazenamento

13 - Non Combustible Solids

Classe de risco de água (WGK)

WGK 3

Equipamento de proteção individual

dust mask type N95 (US), Eyeshields, Gloves

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Certificados de análise (COA)

Lot/Batch Number
SHBN9072
STBJ5054
SHBL6788
STBJ2046
STBJ0679

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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
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.
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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GC Analysis of Volatiles in Roasted Coffee Beans on Omegawax® after SPME using a 50/30 µm DVB/Carboxen/PDMS Fiber

-Cymene; 2,5-Dimethylpyrrole; Acetoin, ≥96%, FCC, FG; 2,5-Dimethylpyrazine; 2,6-Dimethylpyrazine; 2-Ethylpyrazine, ≥98%, FG; 2,3-Dimethylpyrazine; 4-Heptanone; 3-Ethylpyridine; 2,3,5-Trimethylpyrazine; Furfural; Pyrrole; Furfuryl acetate; Linalool; Linalyl acetate; 5-Methylfurfural; γ-Butyrolactone; 2-Acetyl-1-methylpyrrole; Furfuryl alcohol; 2-Acetylpyrrole; Pyrrole-2-carboxaldehyde

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