EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-isobutyl-4,5-dimethyl oxazole
4,5-dimethyl-2-(2-methylpropyl)-1,3-oxazole

Supplier Sponsors

Name:4,5-dimethyl-2-(2-methylpropyl)-1,3-oxazole
CAS Number: 26131-91-9Picture of molecule3D/inchi
FDA UNII:31DA09P920
Nikkaji Web:J45.626H
XlogP3-AA:2.80 (est)
Molecular Weight:153.22475000
Formula:C9 H15 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
JECFA Food Flavoring:1556 2-isobutyl-4,5-dimethyloxazole
FLAVIS Number:13.195 (Old)
DG SANTE Food Flavourings:13.195 2-isobutyl-4,5-dimethyl oxazole
FEMA Number:4397 2-isobutyl-4,5-dimethyloxazole
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):26131-91-9 ; 2-ISOBUTYL-4,5-DIMETHYLOXAZOLE
 
Physical Properties:
Appearance:pale yellow to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.91000 to 0.91600 @ 25.00 °C.
Pounds per Gallon - (est).: 7.572 to 7.622
Refractive Index:1.43900 to 1.44700 @ 20.00 °C.
Boiling Point: 227.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.408000 mmHg @ 25.00 °C. (est)
Flash Point: 166.00 °F. TCC ( 74.44 °C. )
logP (o/w): 2.501 (est)
Soluble in:
 alcohol
 water, 121.6 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: burnt
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
burnt roasted
Odor Description:at 0.10 % in propylene glycol. burnt roasted
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Oxazole,4,5-dimethyl-2-(2-methylpropyl)-
Parchem
2-isobutyl-4,5-dimethyl oxazole
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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 2-isobutyl-4,5-dimethyl oxazole usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.17 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (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: 23
 average usual ppmaverage maximum ppm
baked goods: 2.0000010.00000
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: 1.000005.00000
egg products: --
fats / oils: 0.200001.00000
fish products: 0.200001.00000
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: 0.200001.00000
milk products: 0.400002.00000
nut products: --
other grains: 0.200001.00000
poultry: 0.200001.00000
processed fruits: 0.400002.00000
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
 
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 :574068
National Institute of Allergy and Infectious Diseases:Data
4,5-dimethyl-2-(2-methylpropyl)-1,3-oxazole
Chemidplus:0026131919
 
References:
 4,5-dimethyl-2-(2-methylpropyl)-1,3-oxazole
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):574068
Pubchem (sid):135268008
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB37880
FooDB:FDB017033
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
chocolate
cocoa hexenal
FL/FR
earthy
2-
ethyl-3-methoxypyrazine
FL/FR
nutty pyrazine
FL/FR
nutty
2-
acetyl-3-ethyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
sulfurous
furfuryl thioacetate
FL/FR
vegetable
methional
FL/FR
For Flavor
No flavor group found for these
benzyl methyl sulfide
FL
2-
butenoic acid
FL
2-
ethyl-3-methoxypyrazine
FL/FR
green pea pyrazine
FL
2-
methoxy-3-propyl pyrazine
FL
methyl 2-(methyl thio) acetate
FL
4-(
methyl thio) butanol
FL
alliaceous
alliaceous
3-
mercapto-2-pentanone
FL
2-
methyl thioacetaldehyde
FL
cocoa
cocoa hexenal
FL/FR
fatty
4,5-
dimethyl-2-propyl oxazole
FL
green
2,5-
dimethyl-4-ethyl oxazole
FL
propylene glycol acetone ketal
FL
meaty
4-
allyl-2,6-dimethoxyphenol
FL
milky
dextro,laevo-3-(
methyl thio) butanone
FL
nutty
3-
acetyl-2,5-dimethyl thiophene
FL
2-
acetyl-3-ethyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
2-
ethyl-6-methyl pyrazine
FL
nutty pyrazine
FL/FR
roasted
furfuryl thioacetate
FL/FR
hexyl mercaptan
FL
sulfurous
potato butanone
FL
tomato
methional
FL/FR
vegetable
potato butyraldehyde
FL
winey
5-
ethyl-2-methyl pyridine
FL
 
Potential Uses:
FLbacon
FLbeef
FLbeef roasted beef
FLchicken
FLchicory root
FLchocolate cacao
FRfungus
FRhawthorn
FLlamb
FLliver
FLmeat
FLmeat grilled meat
FLmeat roasted meat
FLmeat smoked meat
FLmushroom
FLnut roasted nut
 parsnip
FLpork
FLpotato
FLpotato baked potato
FLpotato baked potato
FLpotato chip
FLpotato fried potato
FLroasted
FLsalami
 truffle
FLturkey
 
Occurrence (nature, food, other):note
 potato fried potato
Search Trop Picture
 
Synonyms:
2-isobutyl-4,5-dimethyloxazole
4,5-dimethyl-2-(2-methylpropyl)-1,3-oxazole
4,5-dimethyl-2-isobutyl oxazole
4,5-dimethyl-2-isobutyloxazole
2-(2-methyl propyl)-4,5-dimethyl oxazole
2-(2-methylpropyl)-4,5-dimethyloxazole
 oxazole, 4,5-dimethyl-2-(2-methylpropyl)-
 
 
Notes:
Constit. of French fried potato volatiles
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