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

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

Supplier Sponsors

CAS Number: 163266-17-9Picture of molecule3D/inchi
FDA UNII:1P83YTY662
Nikkaji Web:J2.565.778K
Molecular Weight:269.40771000
Formula:C14 H23 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:1756 2-(4-methyl-5-thiazolyl)ethyl octanoate
FEMA Number:4280 2-(4-methyl-5-thiazolyl)ethyl octanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-(4-METHYL-5-THIAZOLYL)ETHYL OCTANOATE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.03600 to 1.04200 @ 25.00 °C.
Pounds per Gallon - (est).: 8.621 to 8.670
Refractive Index:1.49800 to 1.49400 @ 20.00 °C.
Boiling Point: 154.00 to 156.00 °C. @ 2.00 mm Hg
Boiling Point: 354.00 to 356.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.000013 mm/Hg @ 25.00 °C. (est)
Flash Point: 349.00 °F. TCC ( 176.11 °C. )
logP (o/w): 4.041 (est)
Soluble in:
 alcohol
 water, 0.8687 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl octanoate
amyl octanoate
isoamyl octanoate
benzyl octanoate
butyl octanoate
isobutyl octanoate
citronellyl octanoate
ortho-cresyl octanoate
para-cresyl octanoate
decyl octanoate
ethyl 4-methyl octanoate
ethyl octanoate
furfuryl octanoate
geranyl octanoate
heptyl octanoate
(E)-2-hexen-1-yl octanoate
(Z)-3-hexen-1-yl octanoate
hexyl octanoate
linalyl octanoate
2-methyl butyl octanoate
methyl octanoate
nonyl octanoate
octyl octanoate
phenethyl octanoate
propyl octanoate
isopropyl octanoate
 
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:
Apple Flavor & Fragrance
Sulfuryl octanoate
Beijing Lys Chemicals
Sulfuryl octanoate
BOC Sciences
For experimental / research use only.
2-(4-Methyl-5-thiazolyl)octanoic acid ethyl ester
M&U International
SULFURYL OCTANOATE, Kosher
Penta International
SULFURYL OCTANOATE, Kosher
Synerzine
Sulfuryl Caprylate
WholeChem
Sulfuryl octanoate
 
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
Recommendation for sulfuryl octanoate usage levels up to:
  0.0200 % in the fragrance concentrate.
 
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: 1.00000-
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: --
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: 0.500001.50000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :53338773
National Institute of Allergy and Infectious Diseases:Data
2-(4-methyl-1,3-thiazol-5-yl)ethyl octanoate
Chemidplus:0163266179
 
References:
 2-(4-methyl-1,3-thiazol-5-yl)ethyl octanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):53338773
Pubchem (sid):135273780
 
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):HMDB32423
FooDB:FDB009866
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
sulfuryl propionate
FL/FR
green
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
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
sulfuryl formate
FL
sulfuryl propionate
FL/FR
fatty
fatty
2-
heptyl furan
FL/FR
fishy
4,5-
dimethyl thiazole
FL
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
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-(4-methyl thiazol-5-yl) ethyl octanoate
2-(4-methyl-1,3-thiazol-5-yl)ethyl octanoate
2-(4-methyl-5-thiazolyl) ethyl octanoate
2-(4-methyl-5-thiazolyl)ethyl octanoate
4-methyl-5-thiazolylethanyl octanoate
2-(4-methylthiazol-5-yl)ethyl octanoate
 sulfuryl caprylate
 

Articles:

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