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    General Material Information
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peanut oxazole

General Material Information

Preferred name peanut oxazole
Trivial Name 2,4,5-trimethyl-2,5-dihydro-1,3-oxazole
Short Description 2,4,5-trimethyl-3-oxazoline
Formula C6 H11 N O
CAS Number 22694-96-8
CAS Number 22694-96-8 (RR)
CAS Number 22694-96-8 (RS)
CAS Number 22694-96-8 (SR)
CAS Number 22694-96-8 (SS)
FEMA Number 3525
Flavis Number 13.039
FDA UNII KHQ1Z14L8P
Nikkaji Number J77.253D
Beilstein Number 1098973
MDL MFCD00053161
COE Number 2319
xLogP3-AA 0.50 (est)
NMR Predictor External link
JECFA Food Flavoring 1559 2,4,5-trimethyl-delta-3-oxazoline
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 22694-96-8 ; 2,4,5-TRIMETHYL-DELTA-3-OXAZOLINE
Synonyms
  • 2,5-dihydro-2,4,5-trimethyl oxazole
  • 2,5-dihydro-2,4,5-trimethyloxazole
  • oxazole, 2,5-dihydro-2,4,5-trimethl-
  • oxazole, 2,5-dihydro-2,4,5-trimethyl-
  • 3-oxazoline, 2,4,5-trimethyl-
  • 2,4,5-trimethyl-2,5-dihydro-1,3-oxazole
  • 2,4,5-trimethyl-2,5-dihydrooxazole
  • 2,4,5-trimethyl-3-oxazoline
  • 2,4,5-trimethyl-delta-3-oxazoline
  • 2,4,5-trimethyl-gamma-3-oxazoline

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

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Literature & References

2,4,5-trimethyl-2,5-dihydro-1,3-oxazole
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:22694-96-8
Pubchem (cid):31492
Pubchem (sid):134994464
(2R,5R)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:22694-96-8
Pubchem (cid):6999039
Pubchem (sid):43600702
(2R,5S)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:22694-96-8
Pubchem (cid):6999037
Pubchem (sid):43600700
(2S,5R)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:22694-96-8
Pubchem (cid):6999043
Pubchem (sid):43600706
(2S,5S)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:22694-96-8
Pubchem (cid):6999041
Pubchem (sid):43600704
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31199
FooDB:FDB003220
Export Tariff Code:2934.99.9090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 113.15986633301
Specific gravity @ 20 °C
Pounds per Gallon 7.564 to 7.706
Refractive Index 1.42 to 1.43 @ 20 °C
Boiling Point 125 to 127°C @ 760 mm Hg
Vapor Pressure 8.099 mmHg @ 25 °C
Vapor Density 3.8
Flash Point TCC Value 30.56 °C TCC
logP (o/w) 1.683 est
Solubility
alcohol Yes
fixed oils Yes
water, slightly Yes
water, 1134 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Musty
musty, nutty, vegetable, cocoa, nut skin, bread crust, phenolic, woody, brown, bready, caramellic
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity < 1 hour(s) at 100.00 %
Luebke, William tgsc, (2021) At 0.10 % in dipropylene glycol. musty nutty vegetable cocoa nut skin bread crust phenolic woody
Mosciano, Gerard P&F 21, No. 6, 49, (1996) Musty, nutty, vegetative, cocoa, brown, bready and caramellic
Flavor Type: Nutty
musty, nutty, vegetable, cocoa, coffee, bready, nut skin, beany, brown, bitter
Luebke, William tgsc, (2021) Musty nutty vegetable cocoa coffee bready nut skin beany
Mosciano, Gerard P&F 21, No. 6, 49, (1996) At 10.00 ppm. Musty, nutty, cocoa, brown, vegetative and bready with a slight bitter nuance
Used in meat products, bakery, and soups at 10ppm. Green

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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:
oral-mouse LD50 4840 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for peanut oxazole usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.034 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/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: 10
Click here to view publication 10
average usual ppmaverage maximum ppm
baked goods: -10.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -10.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -10.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -10.00000
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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31492
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:2
2,4,5-trimethyl-2,5-dihydro-1,3-oxazole
Chemidplus:0022694968
(2R,5R)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium
(2R,5S)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium
(2S,5R)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium
(2S,5S)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium