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W320218

Sigma-Aldrich

Methyl 2-pyrrolyl ketone

≥98%, FG

Sinonimo/i:

2-Acetylpyrrole, Methyl 2-pyrrolyl ketone

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About This Item

Formula empirica (notazione di Hill):
C6H7NO
Numero CAS:
1072-83-9
Peso molecolare:
109.13
Numero FEMA:
3202
Beilstein:
1882
Numero CE:
214-016-2
N° CoE:
4035
Numero MDL:
MFCD00005220
Codice UNSPSC:
12164502
ID PubChem:
24901550
Numero Flavis:
14.047
NACRES:
NA.21

Origine biologica

synthetic

Livello qualitativo

400

Grado

FG
Fragrance grade
Halal
Kosher

agenzia

follows IFRA guidelines
meets purity specifications of JECFA

Conformità normativa

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

Saggio

≥98%

P. eboll.

220 °C (lit.)

Punto di fusione

88-93 °C (lit.)

applicazioni

flavors and fragrances

Documentazione

see Safety & Documentation for available documents

Allergene alimentare

no known allergens

Allergene in fragranze

no known allergens

Organolettico

bread; coumarin; licorice; musty; nutty; walnut

Stringa SMILE

CC(=O)c1ccc[nH]1

InChI

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

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Categorie correlate

Applicazioni


  • 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).

Codice della classe di stoccaggio

13 - Non Combustible Solids

Classe di pericolosità dell'acqua (WGK)

WGK 3

Dispositivi di protezione individuale

dust mask type N95 (US), Eyeshields, Gloves

Certificati d'analisi (COA)

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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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Protocolli

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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