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2(3)-hexanethiol

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Name:hexane-2-thiol
CAS Number: 1679-06-7Picture of molecule3D/inchi
FDA UNII: C99TVL98TD
Nikkaji Web:J121.763A
XlogP3:2.70 (est)
Molecular Weight:118.24258000
Formula:C6 H14 S
NMR Predictor:Predict (works with chrome, Edge or firefox)
Name:hexane-3-thiol
CAS Number: 1633-90-5Picture of molecule3D/inchi
FDA UNII: 6YD4K9T3DN
Nikkaji Web:J101.045J
XlogP3:2.70 (est)
Molecular Weight:118.24258000
Formula:C6 H14 S
NMR Predictor:Predict (works with chrome, Edge 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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FEMA Number:4782 2(3)-hexanethiol
4782 2(3)-hexanethiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Soluble in:
 water, 204.6 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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 2(3)-hexanethiol 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: 27
Click here to view publication 27
 average usual ppmaverage maximum ppm
baked goods: 0.020000.06000
beverages(nonalcoholic): 0.005000.03000
beverages(alcoholic): 0.005000.03000
breakfast cereal: 0.010000.04000
cheese: --
chewing gum: 0.020000.06000
condiments / relishes: 0.020000.06000
confectionery froastings: 0.020000.06000
egg products: 0.015000.05000
fats / oils: --
fish products: --
frozen dairy: 0.020000.06000
fruit ices: 0.010000.04000
gelatins / puddings: 0.015000.04000
granulated sugar: --
gravies: 0.020000.06000
hard candy: 0.020000.05000
imitation dairy: --
instant coffee / tea: 0.020000.06000
jams / jellies: 0.020000.06000
meat products: 0.020000.08000
milk products: 0.005000.04000
nut products: 0.010000.04000
other grains: 0.010000.06000
poultry: --
processed fruits: 0.010000.05000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.010000.10000
snack foods: 0.010000.06000
soft candy: 0.010000.04000
soups: 0.020000.06000
sugar substitutes: --
sweet sauces: 0.020000.06000
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :519310
National Institute of Allergy and Infectious Diseases:Data
hexane-2-thiol
Chemidplus:0001679067
hexane-3-thiol
Chemidplus:0001633905
 
References:
 hexane-2-thiol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):519310
Pubchem (sid):207492446
 hexane-3-thiol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):102661
Pubchem (sid):135060000
 
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
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 truffle white truffle
Search PMC Picture
 
Synonyms:
2(3)-hexane thiol
 
 
Notes:
None found
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