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

(±)-3-mercapto-1-butyl acetate
3-sulfanylbutyl acetate

Supplier Sponsors

Name:3-sulfanylbutyl acetate
CAS Number: 89534-38-3Picture of molecule3D/inchi
FDA UNII:8D8DW6O2XV
MDL:MFCD08741459
XlogP3-AA:1.20 (est)
Molecular Weight:148.22504000
Formula:C6 H12 O2 S
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:1705 (+/-)-3-mercapto-1-butyl acetate
FEMA Number:4325 (+/-)-3-mercapto-1-butyl acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):89534-38-3 ; (+/-)-3-MERCAPTO-1-BUTYL ACETATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.02500 to 1.02900 @ 25.00 °C.
Pounds per Gallon - (est).: 8.529 to 8.562
Refractive Index:1.45800 to 1.45900 @ 20.00 °C.
Boiling Point: 77.00 °C. @ 10.00 mm Hg
Vapor Pressure:0.415000 mmHg @ 25.00 °C. (est)
Flash Point: 171.00 °F. TCC ( 77.22 °C. )
logP (o/w): 1.598 (est)
Soluble in:
 alcohol
 water, slightly
 water, 2642 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. fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
1,3-Butanedithiol,1-acetate
BOC Sciences
For experimental / research use only.
3-Mercaptobutyl Acetate
Carbosynth
For experimental / research use only.
3-Mercaptobutyl acetate
Endeavour Specialty Chemicals
3-Mercaptobutyl acetate
Speciality Chemical Product Groups
Parchem
(±)-3-Mercapto-1-butyl Acetate
R C Treatt & Co Ltd
3-Mercaptobutyl Acetate
Kosher
Robinson Brothers
3-Mercaptobutyl acetate F&F
https://www.robinsonbrothers.uk/chemistry-competences
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-mercaptobutyl acetate
 
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 (±)-3-mercapto-1-butyl acetate usage levels up to:
 not for fragrance use.
 
NOEL (No Observed Effect Level): 0.7 (mg/kg bw per 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
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: 0.500003.00000
beverages(nonalcoholic): 0.200001.00000
beverages(alcoholic): 0.200001.00000
breakfast cereal: 0.200002.00000
cheese: 0.500002.00000
chewing gum: 0.200002.00000
condiments / relishes: 0.200001.00000
confectionery froastings: 0.200001.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.100001.00000
fruit ices: 0.100001.00000
gelatins / puddings: 0.200001.00000
granulated sugar: --
gravies: --
hard candy: 0.500002.00000
imitation dairy: 0.200001.00000
instant coffee / tea: 0.200001.00000
jams / jellies: 0.200001.00000
meat products: --
milk products: 0.100001.00000
nut products: 0.200001.00000
other grains: --
poultry: --
processed fruits: 0.100001.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 10.000001000.00000
snack foods: 0.200001.00000
soft candy: 0.200001.00000
soups: --
sugar substitutes: --
sweet sauces: 0.200001.00000
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6430878
National Institute of Allergy and Infectious Diseases:Data
3-sulfanylbutyl acetate
Chemidplus:0089534383
 
References:
 3-sulfanylbutyl acetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6430878
Pubchem (sid):135320112
 
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):Search
FooDB:FDB009788
Export Tariff Code:2915.39.0090
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1,3-butanedithiol,1-acetate
1-butanol, 3-mercapto-, acetate
(+/-)-3-mercapto-1-butyl acetate
3-mercaptobutyl acetate
3-sulfanylbutyl acetate
3-thiobutyl acetate
 

Articles:

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