4,5-dimethyl-2-propyl oxazole
organoleptics  properties  safety  references    FEMA Index    Home Page
 
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IUPAC name :4,5-dimethyl-2-propyl-1,3-oxazole
InChI :InChI=1/C8H13NO/c1-4-5-8-9-6(2)7(3)10-8/h4-5H2,1-3H3
InChIKey :SDRFPOFMNGISHT-UHFFFAOYAH
SMILES :CCCC1=NC(=C(O1)C)C
cas number :53833-32-2
(EINECS) number :258-817-5
fema number :4396
coe number :11379
jecfa number :1569
fl. number :13.112
molar refractivity :40.47 ± 0.3 cm3
parachor :347.0 ± 4.0 cm3
index of refraction :1.461 ± 0.02
surface tension :30.7 ± 3.0 dyne/cm
density :0.944 ± 0.06 g/cm3
polarizability :16.04 ± 0.5 10-24cm3
XlogP : 1.70
molecular weight : 139.1949200 (IUPAC)
formula :C8 H13 N O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor type :burnt
odor description:
at 100.00 %.  		roasted burnt
taste description:
fatty metallic
properties :
appearence :pale yellow solid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 59.00 °C. @ 760.00 mm Hg
boiling point : 188.00 to 189.00 °C. @ 760.00 mm Hg
vapor pressure :0.83400 mm/Hg @ 25.00 °C.
flash point : 154.00  °F.  TCC  ( 67.78 °C. )
logP (o/w) : 2.15
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) :0.61 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.10 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :96 (μg/person/day)
Threshold of concern :540 (μg/person/day)
 
recommendation for 4,5-dimethyl-2-propyl oxazole fragrance usage levels up to :
 not for fragrance use.
 
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 on the "LIBRARY" link.
publication number : 23
 average usual ppmaverage maximum ppm
baked goods : 0.400002.00000
beverages(nonalcoholic) : 0.200001.00000
beverages(alcoholic) : --
breakfast cereal : 0.200001.00000
cheese : 0.400002.00000
chewing gum : --
condiments / relishes : 0.200001.00000
confectionery froastings : 0.400002.00000
egg products : --
fats / oils : 0.200001.00000
fish products : 0.100000.40000
frozen dairy : 0.400002.00000
fruit ices : 0.400002.00000
gelatins / puddings : 1.000005.00000
granulated sugar : --
gravies : 1.000005.00000
hard candy : --
imitation dairy : 0.400002.00000
instant coffee / tea : --
jams / jellies : 1.000005.00000
meat products : 0.100000.40000
milk products : 0.400002.00000
nut products : --
other grains : 0.200001.00000
poultry : 0.100000.40000
processed fruits : 0.300001.50000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 0.200001.00000
snack foods : 0.200001.00000
soft candy : --
soups : 0.200001.00000
sugar substitutes : --
sweet sauces : 0.200001.00000
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 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 (EFFA, 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) : 0.200001.00000
Edible ices, including sherbet and sorbet (03.0) : 0.400002.00000
Processed fruit (04.1) : 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 0.400002.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 0.200001.00000
Bakery wares (07.0) : 0.400002.00000
Meat and meat products, including poultry and game (08.0) : 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 0.100000.40000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0) : 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 0.400002.00000
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...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
4,5-dimethyl-2-propyl-1,3-oxazole
(EINECS) number :258-817-5
chemidplus :053833322
EPA Substance Registry Services :53833-32-2
references :
 
4,5-dimethyl-2-propyl-1,3-oxazole
fl. number :13.112
jecfa number :1569
NIST Chemistry WebBook :53833322
pubchem :682032
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
4,5-dimethyl-2-propyl-1,3-oxazole
2-propyl-4,5-dimethyl oxazole
2-propyl-4,5-dimethyloxazole
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
potential blenders :
2-acetyl pyrazineFL/FR
3-acetyl-2,5-dimethyl thiopheneFL
4-allyl-2,6-dimethoxyphenolFL
 benzothiazoleFL
 benzyl mercaptanFL
 benzyl methyl sulfideFL
 butyl mercaptanFL
2-isobutyl-4,5-dimethyl oxazoleFL
 caramel furanoneFL
 cocoa pyrazineFL
 coffee difuranFL
 coffee dioneFL/FR
 coffee pyrazineFL
 dicyclohexyl disulfideFL
 difurfuryl etherFL
 difurfuryl sulfideFL
 diisoamyl thiomalateFL/FR
2,3-dimethyl pyrazineFL
2,6-dimethyl pyrazineFL
2,4-dimethyl thiazoleFL
4,5-dimethyl-2-ethyl-3-thiazolineFL
2,5-dimethyl-3-thiofuroyl furanFL
2,5-dimethyl-4-ethyl oxazoleFL
 ethyl 3-(furfuryl thio) propionateFL
 ethyl methyl sulfideFL
S-ethyl thioacetateFL
2-ethyl-3,5(6)-dimethyl pyrazine mixtureFL
 filbert heptenoneFL/FR
 furfuryl alcoholFL
 furfuryl isopropyl sulfideFL
 furfuryl mercaptanFL/FR
 furfuryl methyl etherFL/FR
 furfuryl propionateFL/FR
1-furfuryl pyrroleFL
 furfuryl thioacetateFL
S-furfuryl thioformateFL
 furfuryl thiopropionateFL
 hexyl mercaptanFL
1-hydroxy-2-butanoneFL/FR
 menthofuranFL
2-methyl 3-(methyl thio) furan 10% in triacetinFL
2-methyl 5-(methyl thio) furanFL
2-methyl butyraldehydeFL
 methyl cyclopentenoloneFL/FR
 methyl furfuryl disulfideFL
2-methyl quinoxalineFL
5-methyl quinoxalineFL
2-methyl thio-3,5 or 6-methyl pyrazineFL
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL
2-methyl-5-isopropyl pyrazineFL
2,3,5,6-tetramethyl pyrazineFL
2-thienyl mercaptanFL
2-thiophene thiolFL
2,4,5-trimethyl thiazoleFL
2,6-xylenolFL
natural occurrence in :
 coffee  



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