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4,5-dimethyl-2-propyl oxazole

Chemical Structure

General Material Information

Preferred name 4,5-dimethyl-2-propyl oxazole
Trivial Name 4,5-dimethyl-2-propyloxazole
Short Description 2-propyl-4,5-dimethyloxazole
Formula C8 H13 N O
CAS Number 53833-32-2
FEMA Number 4396
Flavis Number 13.112
ECHA Number 258-817-5
FDA UNII 2Y81J9YG1G
Nikkaji Number J45.606C
COE Number 11379
xLogP3-AA 2.30 (est)
NMR Predictor External link
JECFA Food Flavoring 1569 4,5-dimethyl-2-propyloxazole
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 53833-32-2 ; 2-PROPYL-4,5-DIMETHYLOXAZOLE
Synonyms
  • 2-propyl-4,5-dimethyl oxazole
  • 2-propyl-4,5-dimethyloxazole
  • 2-n-Propyl-4,5-dimethyloxazole
  • 4,5-dimethyl 2-propyl oxazole
  • 4,5-dimethyl-2-propyl-1,3-oxazole
  • 4,5-dimethyl-2-propyloxazole
  • 4,5-dimethyl-2-propyl-1,3-oxazole
  • 4,5-Dimethyl-2-propyloxazole
  • oxazole, 4,5-dimethyl-2-propyl-

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

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Literature & References

4,5-dimethyl-2-propyl-1,3-oxazole
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:53833-32-2
Pubchem (cid):104620
Pubchem (sid):135060889
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):HMDB37869
FooDB:FDB017022
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 139.19781494141
Boiling Point 188 to 189°C @ 760 mm Hg
Vapor Pressure 0.834 mmHg @ 25 °C
Flash Point TCC Value 67.78 °C TCC
logP (o/w) 2.225 est
Solubility
alcohol Yes
water, slightly Yes
water, 317.7 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Burnt
roasted, burnt
General comment At 100.00 %. roasted burnt
Flavor Type: Fatty
fatty, metallic
General comment Fatty metallic

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 4,5-dimethyl-2-propyl oxazole usage levels up to:
not for fragrance 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)
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: 23
Click here to view publication 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 (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): 0.200001.00000
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
Chewing gum (05.3): --
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...

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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):53833-32-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :104620
National Institute of Allergy and Infectious Diseases:Data
4,5-dimethyl-2-propyl-1,3-oxazole
Chemidplus:0053833322