popcorn pyrimidine
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IUPAC name :2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
InChI :InChI=1/C7H8N2S/c1-5-8-2-6-3-10-4-7(6)9-5/h2H,3-4H2,1H3
InChIKey :XSUYIZJJKIKWFN-UHFFFAOYAT
SMILES :CC1=NC=C2CSCC2=N1
cas number :36267-71-7
(EINECS) number :252-940-8
fema number :3338
coe number :720
jecfa number :1566
fl. number :14.014
molar refractivity :42.98 ± 0.3 cm3
parachor :334.9 ± 4.0 cm3
index of refraction :1.630 ± 0.02
surface tension :59.2 ± 3.0 dyne/cm
density :1.260 ± 0.06 g/cm3
polarizability :17.04 ± 0.5 10-24cm3
XlogP : 0.30
molecular weight : 152.2168200
formula :C7 H8 N2 S
NMR Predictor :Predict
 
 
export tariff code :2933.59.9550
fda reg :unspecified
Suppliers :
Advanced Biotech :5,7-dihydro-2-methyl thieno(3,4-d)pyrimidine
synthetic
Advanced Biotech :pop-corn pyrimidine
synthetic
Apple :Popcorn aroma
IFF :Popcorn Chemical
≥98.00%, Kosher
Penta :5,7-dihydro-2-methyl thieno(3,4-dextro)pyrimidine
organoleptics :
odor type :corn chip
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  		corn chip taco popcorn toasted roasted
properties :
appearence :white to pale yellow solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 62.00 to 63.00 °C. @ 760.00 mm Hg
boiling point : 280.00 to 281.00 °C. @ 760.00 mm Hg
flash point : 212.00  °F.  TCC  ( 100.00 °C. )
logP (o/w) : 0.79
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.
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) :0.40 (μg/capita/day)
Threshold of concern :90 (μg/person/day)
 
recommendation for popcorn pyrimidine usage levels up to :
 not for fragrance use.
recommendation for popcorn pyrimidine usage levels up to :
  5.0000 ppm in the flavor.
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
 
WGK Germany :3
 
 
 
 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
(EINECS) number :252-940-8
chemidplus :036267717
EPA Substance Registry Services :36267-71-7
references :
 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
fl. number :14.014
jecfa number :1566
NIST Chemistry WebBook :2264426178
pubchem :198359
other :
synonyms :
5,7-dihydro-2-methyl thieno(3,4-d)pyrimidine
2-methyl-5,7-dihydrothieno(3,4-d)pyrimidine
2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
 pop-corn pyrimidine
 popcorn chemical
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 acetyl propionyl
2-acetyl pyrazine
2-acetyl pyridine
3-acetyl pyridine
2-acetyl pyrrole
 acetyl pyrroline
2-acetyl thiazole
2-acetyl-2-thiazoline
5-acetyl-2,3-dihydro-1,4-thiazine
3-acetyl-2,5-dimethyl furan
2-acetyl-3-ethyl pyrazine
2-acetyl-3-methyl pyrazine
2-acetyl-3,5-dimethyl pyrazine
2-acetyl-3,5(or 6)-dimethyl pyrazine
2-acetyl-5-methyl furan
2-acetyl-5-methyl pyrazine
2-acetyl-6-methyl pyrazine
 acorn acetate
 allyl 2-ethyl butyrate
isoamyl nonanoate
alpha-angelica lactone
 bornyl isobutyrate
 boronia butenal
 chocolate pyrazine A
3,6-cocoa pyrazine
 coconut naphthalenone
 coumane
 cyclohexyl methyl pyrazine
2,5-diethyl thiazole
3,5-diethyl-2-methyl pyrazine
2,5-diethyl-3-methyl pyrazine
2,5-diethyl-4-methyl thiazole
 difurfuryl ether
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazine
2,5-dihydroxy-1,4-dithiane
 dimethyl dihydrocyclopentapyrazine
2,3-dimethyl pyrazine
2,6-dimethyl pyridine
 dimethyl sulfide
2,5-dimethyl thiazole
4,5-dimethyl thiazole
2,5-dimethyl thiophene
2,4-dimethyl-5-vinyl thiazole
 ethyl 2-hydroxy-2-methyl butyrate
 ethyl dimethyl pyrazine
2-ethyl pyrazine
1-ethyl-2-acetyl pyrrole
5-ethyl-2-methyl pyridine
2-ethyl-3-methoxypyrazine
2-ethyl-4-methyl thiazole
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazoline
 filbert heptenone
 filbert pyrazine
 furfuryl thioacetate
3-(2-furyl) acrolein
 geranyl crotonate
 hazelnut pyrazine
(E,E)-2,4-heptadien-1-ol
gamma-heptalactone
2-heptyl furan
2,4-hexadien-1-ol
3,4-hexane dione
2-hexyl-5 or 6-keto-1,4-dioxane
4-hydroxybenzoic acid
 maraniol
 menthofuran
2-methoxypyrazine
2-methyl anisole
para-methyl anisole
2-methyl butyraldehyde
2-methyl piperidine
2-methyl pyrazine
2-methyl quinoxaline
5-methyl quinoxaline
4-methyl thiazole
2-methyl thio-3,5 or 6-methyl pyrazine
2-(methyl thio) acetaldehyde
 methyl valerate
3-methyl-2-buten-1-al
2-methyl-3-(methyl thio) pyrazine
2-methyl-3-propyl pyrazine
2-methyl-3,(5 or 6)-ethoxypyrazine
2-methyl-5-isopropyl pyrazine
(E,E)-2,4-nonadien-1-al
 nutty cyclohexenone
 nutty quinoxaline
 nutty thiazole
 peanut dithiazine
 peanut oxazole
2-propionyl pyrrole
2-propionyl thiazole
2-propionyl-2-thiazoline
 propyl benzoate
isopropyl pyrazine
2-propyl pyridine
 saffron pyranone
 shoyu pyrazine
 sulfuryl butyrate
 sulfuryl decanoate
 sulfuryl formate
 sulfuryl hexanoate
 sulfuryl isobutyrate
 sulfuryl octanoate
 sulfuryl propionate
2,3,5,6-tetramethyl pyrazine
 tobacco butenal
 tonka bean absolute
 tonka bean resinoid
2,3,5-trimethyl pyrazine
 valeraldehyde
 valeraldehyde dibutyl acetal
 valeraldehyde propylene glycol acetal
2-vinyl pyrazine
 vinyl sulfurol
 whiskey lactone
 yeast thiazoline
(odor and/or flavor) used in :
 butter
 caramel
 corn
 nut
 popcorn
 taco
natural occurrence in :
not found in nature



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