3-(ethyl thio) butanol
(+/-)-3-(ethylthio)butanol
 
Notes:
Used as a food additive [EAFUS]
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CAS Number: 117013-33-9Picture of molecule3D/inchi
FDA UNII: 408AF93G1U
XlogP3-AA: 1.30 (est)
Molecular Weight: 134.24178000
Formula: C6 H14 O S
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring: 1703  (+/-)-3-(ethylthio)butanol
FEMA Number: 4282 (+/-)-3-(ethylthio)butanol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):117013-33-9 ; (+/-)-3-(ETHYLTHIO)BUTANOL
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.94100 to 0.94700 @  25.00 °C.
Pounds per Gallon - (est).: 7.830 to  7.880
Refractive Index: 1.46800 to 1.47600 @  20.00 °C.
Boiling Point: 79.00 to  81.00 °C. @ 1.00 mm Hg
Boiling Point: 154.00 to  155.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.173000 mmHg @ 25.00 °C. (est)
Flash Point: 198.00 °F. TCC ( 92.20 °C. ) (est)
logP (o/w): 1.283 (est)
Soluble in:
 water, 6278 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: cooked
 
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 
 cooked  roasted  nutty  
Odor Description:
at 0.10 % in propylene glycol. 
cooked roasted nutty
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Parchem
3-(ethyl thio) butanol
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
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Safety in Use Information:
Category: flavoring agents
Recommendation for 3-(ethyl thio) butanol usage levels up to:
 not for fragrance use.
 
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: 10.0000050.00000
beverages(nonalcoholic): 1.0000010.00000
beverages(alcoholic): 1.0000010.00000
breakfast cereal: 5.0000010.00000
cheese: 1.0000010.00000
chewing gum: --
condiments / relishes: 2.0000010.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 2.0000010.00000
hard candy: 10.0000020.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 3.0000020.00000
milk products: 2.0000010.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: 2.0000010.00000
reconstituted vegetables: --
seasonings / flavors: 5.0000030.00000
snack foods: 5.0000030.00000
soft candy: 2.0000010.00000
soups: 1.0000010.00000
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 23039305
National Institute of Allergy and Infectious Diseases: Data
 3-(ethylsulfanyl)butan-1-ol
Chemidplus: 0117013339
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References:
 3-(ethylsulfanyl)butan-1-ol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 23039305
Pubchem (sid): 135356208
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (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): HMDB32277
FooDB: FDB009409
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 sulfuryl octanoateFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl propionateFL/FR
coffee
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
green
2-heptyl furanFL/FR
2-acetyl-3-methyl pyrazineFL/FR
3,6-cocoa pyrazineFL/FR
 filbert heptenoneFL/FR
 nutty quinoxalineFL/FR
roasted
2-acetyl-2-pyrroline 
 furfuryl thioacetateFL/FR
 
For Flavor
 
No flavor group found for these
2-acetyl-2-pyrroline 
3,6-diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceriFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
2,5-dimethyl thiazoleFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
1-(3-hydroxy-5-methyl-2-thienyl) ethanoneFL
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
1-phenyl-3(5)-propyl pyrazoleFL
3-isopropenyl pentane dioic acidFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 thioacetic acidFL
5-acetyl-2,3-dihydro-1,4-thiazineFL
S-allyl-laevo-cysteineFL
(±)-3-(methyl thio) heptanalFL
3-(methyl thio) methyl thiopheneFL
2-methyl-1-methyl thio-2-buteneFL
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazineFL
 sulfuryl formateFL
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
fatty
2-heptyl furanFL/FR
fishy
4,5-dimethyl thiazoleFL
meaty
 propyl 2-mercaptopropionateFL
nutty
2-acetyl-3-methyl pyrazineFL/FR
2-butyl-2-butenalFL
3,6-cocoa pyrazineFL/FR
 filbert heptenoneFL/FR
 nutty quinoxalineFL/FR
popcorn
2-propionyl-2-thiazolineFL
roasted
 furfuryl thioacetateFL/FR
 lactoyl ethanolamineFL
 lactoyl ethanolamine phosphateFL
sulfurous
2,4,6-trithiaheptane 10% in triacetinFL
 
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Potential Uses:
 meatFL
 nutFL
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
1-butanol, 3-(ethylthio)-
(±)-3-(ethyl thio) butanol
3-(ethylsulfanyl)butan-1-ol
3-(ethylthio) butanol
(+/-)-3-(ethylthio)butanol
(±)-3-(ethylthio)butanol
3-(ethylthio)butanol
3-(ethylthio)butanol, (+/-)-
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