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

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

Supplier Sponsors

CAS Number: 94159-32-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:303-210-3
FDA UNII:9J734HMU58
Nikkaji Web:J368.870D
MDL:MFCD09032914
XlogP3:3.30 (est)
Molecular Weight:241.35383000
Formula:C12 H19 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:1755 2-(4-methyl-5-thiazolyl)ethyl hexanoate
FEMA Number:4279 2-(4-methyl-5-thiazolyl)ethyl hexanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):94159-32-7 ; 2-(4-METHYL-5-THIAZOLYL)ETHYL HEXANOATE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.06500 to 1.07100 @ 25.00 °C.
Pounds per Gallon - (est).: 8.862 to 8.912
Refractive Index:1.49200 to 1.49700 @ 20.00 °C.
Boiling Point: 143.00 to 145.00 °C. @ 2.00 mm Hg
Boiling Point: 338.00 to 339.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.000101 mmHg @ 25.00 °C. (est)
Flash Point: 317.00 °F. TCC ( 158.33 °C. )
logP (o/w): 3.022 (est)
Soluble in:
 alcohol
 water, slightly
 water, 8.593 mg/L @ 25 °C (est)
Insoluble in:
 water
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allyl hexanoate
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para-anisyl hexanoate
benzyl hexanoate
butyl hexanoate
isobutyl hexanoate
sec-butyl hexanoate
cinnamyl hexanoate
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meta-cresyl hexanoate
para-cresyl hexanoate
cyclohexyl hexanoate
decyl hexanoate
dimethyl benzyl carbinyl hexanoate
ethyl 2-acetyl hexanoate
ethyl hexanoate
furfuryl hexanoate
geranyl hexanoate
heptyl hexanoate
sec-heptyl hexanoate
(E)-3-hexen-1-yl hexanoate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
hexyl hexanoate
linalyl hexanoate
menthyl hexanoate
3-mercaptohexyl hexanoate
2-methyl butyl hexanoate
methyl hexanoate
methyl thiohexanoate
neryl hexanoate
octyl hexanoate
(Z)-2-penten-1-yl hexanoate
phenethyl hexanoate
3-phenyl propyl hexanoate
prenyl hexanoate
propyl hexanoate
isopropyl hexanoate
 
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 hexanoate
Beijing Lys Chemicals
Sulfuryl hexanoate
BOC Sciences
For experimental / research use only.
Sulfuryl Hexanoate
Carbosynth
For experimental / research use only.
2-(4-Methyl-5-thiazolyl)ethyl Hexanoate
Indukern F&F
SULFURYL CAPROATE
Odor: NUTTY, TOASTED
Inoue Perfumery
SULFURYL HEXANOATE
Penta International
SULFURYL HEXANOATE
Shanghai Vigen Fine Chemical
4-Methyl-5-thiazolylethanyl Hexanoate
Synerzine
Sulfuryl Caproate
TCI AMERICA
For experimental / research use only.
2-(4-Methyl-5-thiazolyl)ethyl Hexanoate >98.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Sulfuryl Hexanoate
Tianjin Danjun International
4-Methyl-5-thiazoleethanol hexanoate
WholeChem
Sulfuryl hexanoate
 
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 hexanoate usage levels up to:
  0.0100 % 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
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: 0.500000.90000
beverages(nonalcoholic): 0.100000.10000
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: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3023839
National Institute of Allergy and Infectious Diseases:Data
2-(4-methyl-1,3-thiazol-5-yl)ethyl hexanoate
Chemidplus:0094159327
 
References:
 2-(4-methyl-1,3-thiazol-5-yl)ethyl hexanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):3023839
Pubchem (sid):135217611
 
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):HMDB32421
FooDB:FDB009864
Export Tariff Code:2934.10.2000
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 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
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 isobutyrate
FL/FR
sulfuryl formate
FL
sulfuryl octanoate
FL/FR
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:
 hexanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester
2-(4-methyl thiazol-5-yl) ethyl hexanoate
2-(4-methyl-1,3-thiazol-5-yl)ethyl hexanoate
2-(4-methyl-5-thiazolyl) ethyl hexanoate
2-(4-methyl-5-thiazolyl)ethyl hexanoate
4-methyl-5-thiazolylethanyl hexanoate
2-(4-methylthiazol-5-yl)ethyl hexanoate
 sulfurol hexanate
 sulfuryl caproate
 

Articles:

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