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

sulfuryl isobutyrate
2-(4-methyl-5-thiazolyl)ethyl isobutyrate

Supplier Sponsors

CAS Number: 94021-42-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:301-437-2
FDA UNII:IQX01OU9UR
Nikkaji Web:J367.926H
XlogP3-AA:2.60 (est)
Molecular Weight:213.29995000
Formula:C10 H15 N O2 S
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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:1754 2-(4-methyl-5-thiazolyl)ethyl isobutyrate
FEMA Number:4278 2-(4-methyl-5-thiazolyl)ethyl isobutyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-(4-METHYL-5-THIAZOLYL)ETHYL ISOBUTYRATE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.10200 to 1.10800 @ 25.00 °C.
Pounds per Gallon - (est).: 9.170 to 9.220
Refractive Index:1.49400 to 1.50000 @ 20.00 °C.
Boiling Point: 100.00 to 104.00 °C. @ 2.00 mm Hg
Boiling Point: 300.00 to 301.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 276.00 °F. TCC ( 135.56 °C. )
logP (o/w): 1.882 (est)
Soluble in:
 alcohol
 water, slightly
 water, 96.89 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
Odor Description:at 0.10 % in propylene glycol. roasted nutty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
4-Methyl-5-thiazoleethanol isobutyrate
Inoue Perfumery
SULFURYL ISOBUTYRATE
Penta International
SULFURYL ISOBUTYRATE, Kosher
Synerzine
Sulfuryl Isobutyrate
WholeChem
4-Methyl-5-thiazoleethanol isobutyrate
 
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: flavor and fragrance agents
 
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: 5.0000030.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: 0.100000.16000
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: 10.0000042.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 0.100000.15000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3023273
National Institute of Allergy and Infectious Diseases:Data
2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-methylpropanoate
Chemidplus:0094021428
 
References:
 2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:94021-42-8
Pubchem (cid):3023273
Pubchem (sid):135218116
 
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
HMDB (The Human Metabolome Database):HMDB32422
FooDB:FDB009865
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
sulfuryl octanoate
FL/FR
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl propionate
FL/FR
fatty
fatty
coconut absolute
FL/FR
fermented
valeraldehyde
FL/FR
fruity
3-
methyl-2-butenal
FL/FR
green
2-
heptyl furan
FL/FR
nutty
2-
acetyl-3-methyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
filbert heptenone
FL/FR
nutty quinoxaline
FL/FR
sulfurous
furfuryl thioacetate
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-2-pyrroline
FL
6,7-
dihydro-2,3-dimethyl-5H-cyclopentapyrazine
FL
dimethyl dihydrocyclopentapyrazine
FL
2,5-
dimethyl thiazole
FL
(E,E)-2,4-
heptadien-1-ol
FL
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl formate
FL
sulfuryl octanoate
FL/FR
sulfuryl propionate
FL/FR
burnt
burnt
2-
methyl quinoxaline
FL
fatty
coconut absolute
FL/FR
2-
heptyl furan
FL/FR
fishy
4,5-
dimethyl thiazole
FL
fruity
3-
methyl-2-butenal
FL/FR
nutty
2-
acetyl-3-methyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
filbert heptenone
FL/FR
nutty quinoxaline
FL/FR
popcorn
2-
propionyl-2-thiazoline
FL
roasted
furfuryl thioacetate
FL/FR
winey
valeraldehyde
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-methyl propanoic acid 2-(5-methyl-4-thiazolyl) ethyl ester
2-(5-methyl thiazol-5-yl) ethyl isobutyrate
2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-methylpropanoate
2-(5-methyl-4-thiazolyl) ethyl isobutyrate
2-(5-methyl-4-thiazolyl)ethyl isobutyrate
4-methyl-5-thiazoleethanol isobutyrate
2-(4-methyl-5-thiazolyl)ethyl isobutyrate
2-(5-methylthiazol-4-yl)ethyl isobutyrate
 propanoic acid, 2-methyl-, 2-(5-methyl-4-thiazolyl)ethyl ester
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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