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Merck
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Key Documents

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W320218

Sigma-Aldrich

2-乙酰基吡咯

≥98%, FG

别名:

2-乙酰基吡咯, 甲基-2-吡咯基酮

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About This Item

经验公式（希尔记法）:
C6H7NO
CAS号:
1072-83-9
分子量:
109.13
FEMA號碼:
3202
Beilstein:
1882
EC號碼:
214-016-2
歐洲委員會號碼:
4035
MDL號碼:
MFCD00005220
分類程式碼代碼:
12164502
PubChem物質ID:
24901550
Flavis號碼:
14.047
NACRES:
NA.21

生物源

synthetic

品質等級

400

等級

FG
Fragrance grade
Halal
Kosher

agency

follows IFRA guidelines
meets purity specifications of JECFA

法律遵循

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

化驗

≥98%

bp

220 °C (lit.)

mp

88-93 °C (lit.)

應用

flavors and fragrances

文件

see Safety & Documentation for available documents

食物過敏原

no known allergens

香料過敏原

no known allergens

感官的

bread; coumarin; licorice; musty; nutty; walnut

SMILES 字串

CC(=O)c1ccc[nH]1

InChI

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

InChI 密鑰

IGJQUJNPMOYEJY-UHFFFAOYSA-N

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應用


  • 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).

儲存類別代碼

13 - Non Combustible Solids

水污染物質分類（WGK）

WGK 3

個人防護裝備

dust mask type N95 (US), Eyeshields, Gloves

分析证书(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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实验方案

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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