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

2-ethyl hexyl mercaptan
2-ethylhexanethiol

Supplier Sponsors

Name:2-ethylhexane-1-thiol
CAS Number: 7341-17-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:230-854-1
FDA UNII:9M9TA4S7BL
Nikkaji Web:J103.158I
Beilstein Number:1733054
MDL:MFCD00039654
CoE Number:12128
XlogP3:4.00 (est)
Molecular Weight:146.29646000
Formula:C8 H18 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:519 2-ethylhexanethiol
FLAVIS Number:12.128 (Old)
DG SANTE Food Flavourings:12.128 2-ethylhexane-1-thiol
FEMA Number:3833 2-ethylhexanethiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-ETHYLHEXANETHIOL
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.81700 to 0.82700 @ 25.00 °C.
Pounds per Gallon - (est).: 6.798 to 6.881
Refractive Index:1.45300 to 1.45900 @ 20.00 °C.
Melting Point: -40.00 to -39.00 °C. @ 760.00 mm Hg
Boiling Point: 178.00 to 182.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.827000 mm/Hg @ 25.00 °C. (est)
Flash Point: 140.00 °F. TCC ( 60.00 °C. )
logP (o/w): 4.343 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 oils
 water, 22.93 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Aceto
2-Ethyl -1- Hexanethiol
BOC Sciences
For experimental / research use only.
2-Ethylhexanethiol
Endeavour Specialty Chemicals
2-Ethyl-1-hexanethiol
Speciality Chemical Product Groups
Parchem
2-ethylhexyl mercaptan
Robinson Brothers
2-Ethyl-1-hexanethiol
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
2-Ethylhexanethiol
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Ethylhexanethiol 97%
TCI AMERICA
For experimental / research use only.
2-Ethyl-1-hexanethiol >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi N - Irritant, Dangerous for the environment.
R 36 - Irritating to eyes.
R 43 - May cause sensitisation by skin contact.
R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37 - Wear suitable protective clothing and gloves.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
 
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-ethyl hexyl mercaptan usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Structure Class: I
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: 18
 average usual ppmaverage maximum ppm
baked goods: 0.100005.00000
beverages(nonalcoholic): 0.100005.00000
beverages(alcoholic): --
breakfast cereal: 0.100005.00000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.100005.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.100005.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.100005.00000
milk products: 0.100005.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 100.000001000.00000
snack foods: --
soft candy: 0.100005.00000
soups: 0.100005.00000
sugar substitutes: --
sweet sauces: 0.100005.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):7341-17-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :110968
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3336
WGK Germany:3
2-ethylhexane-1-thiol
Chemidplus:0007341175
 
References:
 2-ethylhexane-1-thiol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):110968
Pubchem (sid):135067834
 
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):HMDB41477
FooDB:FDB021438
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:2-Ethylhexanethiol
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 potato
Search Trop Picture
 truffle white
Search PMC Picture
 
Synonyms:
2-ethyl -1- hexanethiol
2-ethyl hexane thiol
2-ethyl hexane-1-thiol
2-ethyl hexanethiol
2-ethyl-1-hexane thiol
2-ethyl-1-hexanethiol
2-ethylhexane-1-thiol
2-ethylhexanethiol
2-ethylhexyl mercaptan
2-ethylhexylmercaptan
1-hexanethiol, 2-ethyl-
2-octyl mercaptan
 
 
Notes:
Used as a food additive [EAFUS]
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