4-acetyl-2-methyl pyrimidine
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IUPAC name :1-(2-methylpyrimidin-4-yl)ethanone
InChI :InChI=1/C7H8N2O/c1-5(10)7-3-4-8-6(2)9-7/h3-4H,1-2H3
InChIKey :ZADBZWAGUOHTAB-UHFFFAOYAU
SMILES :CC1=NC=CC(=N1)C(=O)C
cas number :67860-38-2
fema number :3654
jecfa number :1565
fl. number :14.070
molar refractivity :37.28 ± 0.3 cm3
parachor :318.3 ± 4.0 cm3
index of refraction :1.514 ± 0.02
surface tension :43.9 ± 3.0 dyne/cm
density :1.100 ± 0.06 g/cm3
polarizability :14.78 ± 0.5 10-24cm3
XlogP3-AA : 0.60
molecular weight : 136.1512200 (IUPAC)
formula :C7 H8 N2 O
NMR Predictor :Predict
 
 
export tariff code :2933.59.9550
fda reg :unspecified
Suppliers :
Nanjing :ethanone,1-(2-methyl-pyrimidin-4-yl)-
orders in chinese only.
organoleptics :
odor type :burnt
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in propylene glycol.  		burnt meaty
properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.09600 to 1.10200 @ 25.00 °C.
pounds per gallon - calc. : 9.120 to 9.170
refractive index :1.50100 to 1.50700 @ 20.00 °C.
boiling point : 87.00 to 89.00 °C. @ 10.00 mm Hg
boiling point : 218.00 to 219.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.11700 mm/Hg @ 25.00 °C.
flash point : 192.00  °F.  TCC  ( 88.89 °C. )
logP (o/w) : -0.60
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.01 (μg/capita/day)
Threshold of concern :540 (μg/person/day)
Category :flavoring agents
 
recommendation for 4-acetyl-2-methyl pyrimidine fragrance usage levels up to :
 not for fragrance use.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
1-(2-methylpyrimidin-4-yl)ethanone
chemidplus :067860382
EPA Substance Registry Services :67860-38-2
references :
 
1-(2-methylpyrimidin-4-yl)ethanone
fl. number :14.070
jecfa number :1565
pubchem :199055
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-methyl-4-acetyl pyrimidine
1-(2-methyl-4-pyrimidinyl) ethanone
1-(2-methylpyrimidin-4-yl)ethanone
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
potential blenders :    note
4-allyl-2,6-dimethoxyphenolFL
4-aminobutyric acidFL
 amyl mercaptanFL
 bacon dithiazineFL
1,3-butane dithiolFL
2,3-butane dithiolFL
2-(2-butyl)-4,5-dimethyl-3-thiazolineFL
 butyraldehydeFL
 coffee difuranFL/FR
 cyclopropyl (E,Z)-2,6-nonadienamideFL
2,5-diethyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
 difurfuryl sulfideFL
2,5-dihydroxy-1,4-dithianeFL
N-(2,4-dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amideFL
2,5-dimethyl furanFL
 dimethyl tetrasulfideFL
2,6-dimethyl thiophenolFL
 dimethyl trisulfideFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamideFL
2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanoneFL
2,5-dimethyl-3-furan thiolFL
bis(2,5-dimethyl-3-furyl) disulfideFL
2,5-dimethyl-3-thiofuroyl furanFL
1,1-ethane dithiol 1% in ethanolFL
 ethyl (E,Z)-2,6-nonadienamideFL
S-ethyl 2-acetyl aminoethane thioateFL
 ethyl 3-mercaptopropionateFL/FR
 ethyl 4-(acetyl thio) butyrateFL
S-ethyl thioacetateFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 furfuryl isopropyl sulfideFL
4-furfuryl thio-2-pentanoneFL
 hazelnut pyrazineFL/FR
N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamideFL
1,6-hexane dithiolFL
 meaty dithianeFL
4-mercapto-2-pentanone 1% in acetoinFL
2-mercapto-3-pentanoneFL
2-mercaptomethyl pyrazineFL
2-mercaptopropionic acidFL
N1-(2-methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N1-(2-methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamideFL
 methyl 2-methyl-3-furyl disulfideFL
2-methyl 3-(methyl thio) furan 10% in triacetinFL
4-methyl 4-mercaptopentan-2-one 1% in pgFL/FR
 methyl dihydrofuran thiolFL
4-methyl nonanoic acidFL/FR
2-methyl pyrazineFL/FR
2-methyl thiazolidineFL
2-(methyl thio) ethanolFL
12-methyl tridecanalFL
2-methyl-1-methyl thio-2-buteneFL
3-methyl-2-butane thiolFL
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-furyl tetrasulfideFL
bis(2-methyl-3-furyl) disulfideFL
S-(2-methyl-3-furyl) ethane thioateFL
3-((2-methyl-3-furyl)thio)-4-heptanoneFL
4-((2-methyl-3-furyl)thio)-5-nonanoneFL
2-methyl-3-tetrahydrofuran thiolFL
1,9-nonane dithiolFL
 nutty thiazoleFL
1,8-octane dithiolFL
 peanut dithiazineFL
1-phenethyl mercaptanFL
1,3-propane dithiolFL
2-propionyl-2-thiazolineFL
 propyl 2-mercaptopropionateFL
 propyl 2-methyl-3-furyl disulfideFL
isopropyl disulfideFL
isopropyl mercaptanFL
 pyrazinyl ethane thiolFL
2-pyridinyl methane thiolFL
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazineFL
 roasted butanolFL
 rum etherFL/FR
 sulfuryl acetateFL
3-tetrahydrothiophenoneFL
 thialdineFL
3-thienyl mercaptanFL
1-(2-thienyl) butanoneFL
ortho-thiocresolFL
 thioguaiacolFL
potential uses :
 meat
natural occurrence in :    note
 meat cooked meat  

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