EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

4-acetyl pyridine
1-pyridin-4-ylethanone

Supplier Sponsors

Name:1-pyridin-4-ylethanone
CAS Number: 1122-54-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:214-350-9
FDA UNII:G47437IOW7
Nikkaji Web:J41.571E
Beilstein Number:0107629
MDL:MFCD00006433
XlogP3:0.50 (est)
Molecular Weight:121.13899000
Formula:C7 H7 N O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:14.089 (Old)
DG SANTE Food Flavourings:14.089 4-acetylpyridine
 
Physical Properties:
Appearance:pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.09800 to 1.10400 @ 25.00 °C.
Pounds per Gallon - (est).: 9.136 to 9.186
Refractive Index:1.52000 to 1.52600 @ 20.00 °C.
Melting Point: 15.00 to 16.00 °C. @ 760.00 mm Hg
Boiling Point: 212.00 to 213.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.170000 mmHg @ 25.00 °C. (est)
Flash Point: 188.00 °F. TCC ( 86.67 °C. )
logP (o/w): 0.480
Soluble in:
 alcohol
 water, 3.868e+004 mg/L @ 25 °C (est)
 water, 3.87E+04 mg/L @ 17C (exp)
Insoluble in:
 water
Similar Items:note
2-acetyl pyridine
3-acetyl pyridine
 
Organoleptic Properties:
Flavor Type: burnt
burnt coffee
Taste Description: burnt coffee
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-Acetylpyridine
Carbosynth
For experimental / research use only.
4-Acetylpyridine
Penta International
4-ACETYLPYRIDINE
Santa Cruz Biotechnology
For experimental / research use only.
4-Acetylpyridine
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Acetylpyridine 97%
Synerzine
4-Acetylpyridine
TCI AMERICA
For experimental / research use only.
4-Acetylpyridine >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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 1400 mg/kg
Journal of Medicinal Chemistry. Vol. 14, Pg. 551, 1971.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 4-acetyl pyridine usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0073 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 400 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 2.0000010.00000
Meat and meat products, including poultry and game (08.0): 0.200001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.200001.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 24 (FGE.24): Pyridine, pyrrole, indole and quinoline derivatives from chemical group 28 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Pyridine, pyrrole, indole and quinoline derivatives from chemical group 28 Flavouring Group Evaluation 24, Revision 1 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 77 (FGE77) [1] - Consideration of Pyridine, Pyrrole and Quinoline Derivatives evaluated by JECFA (63rd meeting) structurally related to Pyridine, Pyrrole, Indole and Quinoline Derivatives evaluated by EFSA in FGE.24Rev1 (2008)
View page or View pdf

Scientific opinion on Flavouring Group Evaluation 24, Revision 2 (FGE.24Rev2): Pyridine, pyrrole, indole and quinoline derivatives from chemical group 28
View page or View pdf

EPI System: View
Chemical Carcinogenesis Research Information System:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):1122-54-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :14282
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-pyridin-4-ylethanone
Chemidplus:0001122549
EPA/NOAA CAMEO:hazardous materials
RTECS:OB5426000 for cas# 1122-54-9
 
References:
 1-pyridin-4-ylethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):14282
Pubchem (sid):134980291
 
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
Export Tariff Code:2933.39.9050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 bread baked bread
Search PMC Picture
 
Synonyms:
4-acetylpyridine
 ethanone, 1- (4-pyridinyl)-
 ethanone, 1-(4-pyridinyl)-
 ketone, methyl 4-pyridyl
 methyl 4-pyridyl ketone
1-(pyridin-4-yl)ethan-1-one
1-(pyridin-4-yl)ethanone
1-pyridin-4-ylethanone
 pyridine, 4-acetyl-
1-(4-pyridinyl) ethanone
1-(4-pyridinyl)ethanone
4-pyridyl methyl ketone
 

Articles:

US Patents:3,952,024 - Furfurylthioacetone
PubMed:Hydrogen-bonded assemblies of 20-(4-pyridyl)porphyrin-5(4),10(4),15(4)-tribenzoic acid with dimethyl sulfoxide and 4-acetylpyridine in their dimethyl sulfoxide and tetrahydrofuran solvates.
US Patents:3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines
PubMed:Mono- and dinuclear tricarbonyltechnetium(I) complexes with thiosemicarbazones.
PubMed:Detection of induced mitotic chromosome loss in Saccharomyces cerevisiae--an interlaboratory study.
PubMed:Effects of 4-acetylpyridine on stress ulcer formation in mice.
 
Notes:
None found
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