2,5-dimethyl-3-acetyl-pyrrole
ketone, 2,5-dimethylpyrrol-3-yl methyl
 
Notes:
None found
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1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone (Click)
CAS Number: 1500-94-3Picture of molecule
Nikkaji Web: J41.553G
Beilstein Number: 0112096
XlogP3-AA: 1.20 (est)
Molecular Weight: 137.18187000
Formula: C8 H11 N O
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 3327 mg/L @ 25 °C (est)
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Organoleptic Properties:
 sweet  
Taste Description:
weak, sweet
  
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50  553 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Journal of Medicinal Chemistry. Vol. 11, Pg. 1251, 1968.

intraperitoneal-rat LD50  225 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ANTICONVULSANT BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Journal of Medicinal Chemistry. Vol. 11, Pg. 1251, 1968.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: information only not used for fragrances or flavors
Recommendation for 2,5-dimethyl-3-acetyl-pyrrole usage levels up to:
 not for fragrance use.
 
Recommendation for 2,5-dimethyl-3-acetyl-pyrrole flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 15163
National Institute of Allergy and Infectious Diseases: Data
 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone
Chemidplus: 0001500943
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References:
 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 15163
Pubchem (sid): 134978887
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEMBL: View
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
3-acetyl-2,5-dimethyl pyrrole
3-acetyl-2,5-dimethyl-pyrrole
3-acetyl-2,5-dimethylpyrrole
2,5-dimethyl pyrrol-3-yl methyl ketone
1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone
2,5-dimethyl-3-acetyl pyrrole
2,5-dimethyl-3-acetylpyrrole
2,5-dimethylpyrrol-3-yl methyl ketone
 ketone, 2,5-dimethyl-3-pyrrolyl methyl
 ketone, 2,5-dimethylpyrrol-3-yl methyl
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