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4-acetyl-2-methyl pyrimidine

Chemical Structure

General Material Information

Preferred name 4-acetyl-2-methyl pyrimidine
Trivial Name 1-(2-Methyl-4-pyrimidinyl)ethanone
Short Description 1-(2-methyl-4-pyrimidinyl)ethanone
Formula C7 H8 N2 O
CAS Number 67860-38-2
FEMA Number 3654
Flavis Number 14.07
FDA UNII 1S259JU961
Nikkaji Number J1.586.266A
MDL MFCD00209495
xLogP3-AA 0.60 (est)
NMR Predictor External link
JECFA Food Flavoring 1565 4-acetyl-2-methylpyrimidine
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 67860-38-2 ; 4-ACETYL-2-METHYLPYRIMIDINE
Synonyms
  • 4-acetyl-2-methylpyrimidine
  • ethanone, 1-(2-methyl-4-pyrimidinyl)-
  • ethanone,1-(2-methyl-pyrimidin-4-yl)-
  • 2-methyl-4-acetyl pyrimidine
  • 2-methyl-4-acetylpyrimidine
  • 1-(2-methyl-4-pyrimidinyl)-ethanone
  • 1-(2-methyl-4-pyrimidinyl)ethanone
  • 1-(2-methylpyrimidin-4-yl)ethanone
  • 1-(2-methylpyrimidin-4-yl)ethanone
  • 1-(2-Methyl-4-pyrimidinyl)ethanone
  • 1-(2-Methylpyrimidin-4-yl)ethan-1-one

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

1-(2-methylpyrimidin-4-yl)ethanone
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:67860-38-2
Pubchem (cid):5362572
Pubchem (sid):135268063
Publications by Info
miscellaneous nitrogen derivatives

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB37819
FooDB:FDB016964
Export Tariff Code:2933.59.9550
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 136.15396118164
Specific gravity @ 25 °C
Pounds per Gallon 9.12 to 9.17
Refractive Index 1.501 to 1.507 @ 20 °C
Boiling Point 87 to 89°C @ 10 mm Hg
Boiling Point 218 to 219°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.117 mmHg @ 25 °C
Flash Point TCC Value 88.89 °C TCC
logP (o/w) 0.528 est
Solubility
alcohol Yes
water, slightly Yes
water, 6.241e+004 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Burnt
burnt, meaty, roasted
General comment At 0.10 % in propylene glycol. burnt meaty roasted

Occurrences

Potential Uses

Applications
Flavoring purposes Meat

Safety Information

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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for 4-acetyl-2-methyl pyrimidine usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.011 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 13
Click here to view publication 13
average usual ppmaverage maximum ppm
baked goods: -10.00000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): -5.00000
breakfast cereal: -5.00000
cheese: -1.00000
chewing gum: -10.00000
condiments / relishes: --
confectionery froastings: -5.00000
egg products: -0.50000
fats / oils: --
fish products: --
frozen dairy: -5.00000
fruit ices: --
gelatins / puddings: -5.00000
granulated sugar: --
gravies: -3.00000
hard candy: -5.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
milk products: -1.00000
nut products: -5.00000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -10.00000
soft candy: -5.00000
soups: -3.00000
sugar substitutes: --
sweet sauces: --

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):

Flavouring Group Evaluation 85: Consideration of miscellaneous nitrogen-containing substances evaluated by JECFA (65th meeting)[1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):67860-38-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5362572
National Institute of Allergy and Infectious Diseases:Data
1-(2-methylpyrimidin-4-yl)ethanone
Chemidplus:0067860382