peanut oxazole
2,4,5-trimethyl-3-oxazoline

Sponsors

Name: 2,4,5-trimethyl-2,5-dihydro-1,3-oxazole
CAS Number: 22694-96-8Picture of molecule3D/inchi
FDA UNII: KHQ1Z14L8P
Nikkaji Web: J77.253D
Beilstein Number: 1098973
MDL: MFCD00053161
CoE Number: 2319
XlogP3-AA: 0.50 (est)
Molecular Weight: 113.15987000
Formula: C6 H11 N O
NMR Predictor: Predict (works with chrome or firefox)
Name: (2R,5R)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium
CAS Number: 22694-96-8 (RR)Picture of molecule3D/inchi
XlogP3-AA: 0.50 (est)
Molecular Weight: 113.15987000
Formula: C6 H11 N O
NMR Predictor: Predict (works with chrome or firefox)
Name: (2R,5S)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium
CAS Number: 22694-96-8 (RS)Picture of molecule3D/inchi
XlogP3-AA: 0.50 (est)
Molecular Weight: 113.15987000
Formula: C6 H11 N O
NMR Predictor: Predict (works with chrome or firefox)
Name: (2S,5R)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium
CAS Number: 22694-96-8 (SR)Picture of molecule3D/inchi
XlogP3-AA: 0.50 (est)
Molecular Weight: 113.15987000
Formula: C6 H11 N O
NMR Predictor: Predict (works with chrome or firefox)
Name: (2S,5S)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium
CAS Number: 22694-96-8 (SS)Picture of molecule3D/inchi
XlogP3-AA: 0.50 (est)
Molecular Weight: 113.15987000
Formula: C6 H11 N O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1559 2,4,5-trimethyl-delta-3-oxazoline
Flavis Number: 13.039 (Old)
DG SANTE Food Flavourings: 13.039 2,4,5-trimethyl-delta-3-oxazoline
FEMA Number: 3525 2,4,5-trimethyl-3-oxazoline
FDA Mainterm: 2,4,5-TRIMETHYL-DELTA-3-OXAZOLINE
 
Physical Properties:
Appearance: yellow orange clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 125.00 to 127.00 °C. @ 760.00 mm Hg
Vapor Pressure: 8.099000 mm/Hg @ 25.00 °C. (est)
Vapor Density: 3.8 ( Air = 1 )
Flash Point: 87.00 °F. TCC ( 30.56 °C. )
logP (o/w): 1.683 (est)
Soluble in:
 alcohol
 fixed oils
 water, slightly
 water, 1134 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: musty
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 musty green woody nutty caramellic
Odor Description:
at 0.10 % in dipropylene glycol.
musty green wood nutty caramel
 musty nutty vegetable cocoa brown bready caramellic
Odor Description:
Musty, nutty, vegetative, cocoa, brown, bready and caramellic
Mosciano, Gerard P&F 21, No. 6, 49, (1996)
Flavor Type: nutty
 musty nutty cocoa brown vegetable bready bitter
Taste Description:
at 10.00 ppm.
Musty, nutty, cocoa, brown, vegetative and bready with a slight bitter nuance
Mosciano, Gerard P&F 21, No. 6, 49, (1996)
Odor and/or flavor descriptions from others (if found).
Frutarom
2,4,5-TRIMETHYL-3-OXAZOLINE ≥99.00%, NI, Kosher
Odor Description: Green, Musty, Nutty, Woody
Suggested Uses: Bakery, Chocolate, Cocoa, Coffee, Nut, Savoury
Treatt
2,4,5-Trimethyl-3-oxazoline Halal, Kosher
Odor Description: ‘Green bean’ Green, woody, and musty
Odour threshold of 1ppm
Taste Description: green
Used in meat products, bakery, and soups at 10ppm.
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,4,5-Trimethyl-3-oxazoline 95%
Carbosynth
For experimental / research use only.
2,4,5-Trimethyl-3-oxazoline
Charkit Chemical
TRIMETHYL-GAMMA-3-OXAZOLINE, 2,4,5- FEMA 3525
DeLong Chemicals America
2,4,5-Trimethyl-3-oxazoline, Kosher
Endeavour Specialty Chemicals
2,4,5-Trimethyl-3-oxazoline 99% F&F
Speciality Chemical Product Groups
Frutarom
2,4,5-TRIMETHYL-3-OXAZOLINE
≥99.00%, NI, Kosher
Odor: Green, Musty, Nutty, Woody
Use: Suggested Uses: Bakery, Chocolate, Cocoa, Coffee, Nut, Savoury
Penta International
2,4,5-TRIMETHYL-3-OXAZOLINE, Kosher
Robinson Brothers
2,4,5-Trimethyl-3-oxazoline F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
2,4,5-Trimethyl-3-oxazoline, cis + trans ≥98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,4,5-Trimethyl-2,5-dihydro-1,3-oxazole
Synerzine
2,4,5-Trimethyl-gamma-3-oxazoline
Taytonn
2,4,5-Trimethyl-3-Oxazoline
Odor: Green, Musty, Nutty, Woody
Treatt
2,4,5-Trimethyl-3-oxazoline
Halal, Kosher
Odor: ‘Green bean’ Green, woody, and musty
Use: Odour threshold of 1ppm
Flavor: green
Used in meat products, bakery, and soups at 10ppm.
 
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
 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
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
 
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
 
Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (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
 
Potential Blenders and core components note
For Odor
citrus
alpha-
methylene citronellal
FR
neroli ketone
FR
coumarinic
tonka bean resinoid
FR
floral
boronia butenal
FR
green
bergoxane
FR
fresh nitrile
FR
(E)-2-
hexen-1-yl salicylate
FR
herbal
bornyl salicylate
FR
saffron pyranone
FR
milky
laevo-
glutamine
CS
nutty
maraniol
CS
spicy
iso
cyclogeraniol (IFF)
FR
tobacco
veltonal (Bedoukian)
FR
tonka
tonka bean absolute
FR
For Flavor
No flavor group found for these
acetyl acetaldehyde dimethyl acetal
FL
2-
acetyl-2-pyrroline
FL
2-
acetyl-3,4,5,6-tetrahydropyridine
FL
2(4)-iso
butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
FL
butyramide
FL
cyclohexyl methyl pyrazine
FL
2,5-
diethyl thiazole
FL
2,5-
diethyl-4-methyl thiazole
FL
6,7-
dihydro-2,3-dimethyl-5H-cyclopentapyrazine
FL
dimethyl dihydrocyclopentapyrazine
FL
2,5-
dimethyl thiazole
FL
4,5-
dimethyl-2-ethyl thiazole
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
3-(2-
furyl) acrolein
FL
(E,E)-2,4-
heptadien-1-ol
FL
2-
hexyl-5 or 6-keto-1,4-dioxane
FL
2-
methoxythiazole
FL
peanut dithiazine
FL
2-
propyl pyridine
FL
para-
salicylic acid
FL
5-
acetyl-2,3-dihydro-1,4-thiazine
FL
sulfuryl formate
FL
alliaceous
alliaceous
2-
methyl thioacetaldehyde
FL
bitter
methyl ethoxypyrazine
FL
paullinia cupana seed extract
FL
bready
2-
propionyl thiazole
FL
burnt
furfuryl alcohol
FL
2-
methyl quinoxaline
FL
caramellic
barley
malt extract
FL
chocolate
cocoa propanal
FL
cocoa
butyraldehyde
FL
coffee
difurfuryl ether
FL
2-iso
propyl pyrazine
FL
corn chip
2-
acetyl-2-thiazoline
FL
fatty
(E,E)-2,4-
nonadienal
FL
fishy
4,5-
dimethyl thiazole
FL
fruity
2,4-
hexadien-1-ol
FL
green
2,5-
dimethyl thiophene
FL
2-
ethyl butyraldehyde
FL
2-
hexyl pyridine
FL
4-
methyl thiazole
FL
2-
methyl-5-isopropyl pyrazine
FL
2-
propyl pyrazine
FL
2-
vinyl pyrazine
FL
nutty
aconitic acid
FL
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
2,4-
dimethyl-5-vinyl thiazole
FL
1-
ethyl-2-acetyl pyrrole
FL
european
hazelnut oleoresin
FL
nutty thiazole
FL
popcorn
2-
propionyl-2-thiazoline
FL
winey
5-
ethyl-2-methyl pyridine
FL
 
Potential Uses:
 arnicaFR
 barleyFL
 breadFL
 bread baked bread 
 bread crisp bread 
 bread crust 
 bread rye bread 
 bread wheat bread 
 bread white bread 
 butterscotchFL
 caramelFL
 carawayFL/FR
 chestnut blossom 
 chicory root 
 chocolate cacao 
 chocolate cocoa 
 coconutFL
 coconut tropical coconut 
 coffeeFL
 fenugreekFL/FR
 gingerbread 
 graham crackerFL
 immortelle helichrysum everlastingFL/FR
 maceFL
 malt 
 mapleFL
 molassesFL
 nutFL
 nut almond toastedFL
 nut cashewFL
 nut filbertFL
 nut hazelnutFL
 nut macadamiaFL
 nut peanutFL
 nut peanut butterFL
 nut pecanFL
 nut pistachioFL
 nut roasted 
 nut sesameFL
 nut walnutFL
 nutmegFL/FR
 pina coladaFL
 pralineFL
 toffeeFL
 
Occurrence (nature, food, other): note
 beef heated beef
Search PMC Picture
 chicken fried chicken
Search PMC Picture
 peanut roasted peanut
Search Trop Picture
 
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
 
 
Notes:
Volatile flavour constit. of boiled beef and roasted peanuts. Used as flavour enhancer in fish products
 
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