W320218
Methyl 2-pyrrolyl ketone
≥98%, FG
Synonym(s):
2-Acetylpyrrole, Methyl 2-pyrrolyl ketone
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About This Item
Empirical Formula (Hill Notation):
C6H7NO
CAS Number:
Molecular Weight:
109.13
FEMA Number:
3202
Council of Europe no.:
4035
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
14.047
EC Number:
214-016-2
NACRES:
NA.21
MDL number:
Beilstein/REAXYS Number:
1882
Organoleptic:
bread; coumarin; licorice; musty; nutty; walnut
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
biological source
synthetic
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
Application
- 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).
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Related Content
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
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.
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