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

2-ethyl benzene thiol
2-(ethylthio)phenol

Supplier Sponsors

Name:2-ethylbenzenethiol
CAS Number: 4500-58-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:224-811-6
FDA UNII:62GBU45I5P
Nikkaji Web:J205.879K
MDL:MFCD00010022
CoE Number:11666
XlogP3:3.00 (est)
Molecular Weight:138.23270000
Formula:C8 H10 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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:529 2-ethylthiophenol
FLAVIS Number:12.054 (Old)
DG SANTE Food Flavourings:12.054 2-(ethylthio)phenol
FEMA Number:3345 2-ethylthiophenol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):4500-58-7 ; 2-ETHYLTHIOPHENOL
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 94.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.03500 to 1.03900 @ 20.00 °C.
Pounds per Gallon - (est).: 8.622 to 8.656
Refractive Index:1.56800 to 1.57200 @ 20.00 °C.
Boiling Point: 203.00 to 205.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.275000 mmHg @ 25.00 °C. (est)
Flash Point: 177.00 °F. TCC ( 80.56 °C. )
logP (o/w): 3.511 (est)
Soluble in:
 alcohol
 water, 56.24 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 stable in most media
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous roasted meaty smoky
Odor Description:at 0.10 % in propylene glycol. sulfurous roasted meaty smoky
Flavor Type: phenolic
phenolic smoky meaty
Taste Description: phenolic smoky meaty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
2-Ethyl benzenethiol
BOC Sciences
For experimental / research use only.
2-Ethylthiophenol
Changzhou Longo Chemical
2-Ethylthiophenol
Endeavour Specialty Chemicals
2-(Ethyl)thiophenol 98% F&F
Speciality Chemical Product Groups
Jiangyin Healthway
2-Ethyl phenyl mercaptan
New functional food ingredients
Jinan Enlighten Chemical Technology(Wutong Aroma )
2-Ethyl benzenethiol
Jinan Enlighten Chemical Technology(Wutong Aroma )
2(or4)-Ethyl benzenethiol, Kosherk
M&U International
P-ETHYL THIOPHENOL, Kosher
Matrix Scientific
For experimental / research use only.
2-Ethylthiophenol, 98%
Penta International
2-ETHYLTHIOPHENOL
R C Treatt & Co Ltd
2-Ethylthiophenol
Robinson Brothers
2-(Ethyl)thiophenol F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
2-Ethylbenzenethiol
Sigma-Aldrich
2-Ethylbenzenethiol, ≥94%, FG
Certified Food Grade Products
Sunaux International
P-Ethyl Thiophenol
Synerzine
2-Ethyithiophenol
TCI AMERICA
For experimental / research use only.
2-Ethylbenzenethiol >95.0%(GC)
Tengzhou Jitian Aroma Chemiclal
2-Ethyl phenyl mercaptan
WholeChem
2-Ethyl benzenethiol
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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 - Wear suitable protective clothing.
 
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 benzene thiol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.00012 (μg/capita/day)
Structure Class: III
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: 6
 average usual ppmaverage maximum ppm
baked goods: -0.30000
beverages(nonalcoholic): -0.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.20000
fruit ices: -0.20000
gelatins / puddings: -0.20000
granulated sugar: --
gravies: -0.20000
hard candy: -0.30000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.20000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.20000
sugar substitutes: --
sweet sauces: --
 
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):4500-58-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3734338
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-ethylbenzenethiol
Chemidplus:0004500587
 
References:
 2-ethylbenzenethiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4500-58-7
Pubchem (cid):3734338
Pubchem (sid):135263854
 
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):HMDB41361
FooDB:FDB021284
Export Tariff Code:2930.90.2900
ChemSpider:View
FAO:2-Ethyl(thiophenol)
 
Potential Blenders and core components note
For Odor
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
herbal
yerba mate absolute
FL/FR
nutty
2-
methyl-3-(methyl thio) pyrazine
FL/FR
smoky
4-
ethyl phenol
FL/FR
sulfurous
cocoa essence
FL/FR
ethyl 3-mercaptobutyrate
FL/FR
furfuryl thioacetate
FL/FR
2-
mercaptopropionic acid
FL/FR
woody
2-
methoxy-4-vinyl phenol
FL/FR
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
1,2-
butane dithiol
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
ethyl 3-mercaptobutyrate
FL/FR
2-
ethyl-3-methyl thiopyrazine
FL
methyl dihydrofuran thiol
FL
methyl methane thiosulfonate
FL
2-
methyl-3-(methyl thio) pyrazine
FL/FR
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
thioacetic acid
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
2-
methyl-1-methyl thio-2-butene
FL
alliaceous
alliaceous
1,3-
butane dithiol
FL
burnt
bacon dithiazine
FL
chocolate
cocoa essence
FL/FR
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
methyl furfuryl thiol
FL
herbal
yerba mate absolute
FL/FR
meaty
4-
allyl-2,6-dimethoxyphenol
FL
2,6-
dimethyl thiophenol
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
ham enhancers
FL
ham flavor
FL
(R,S)-2-
mercapto-3-butanol
FL
2-
mercaptopropionic acid
FL/FR
methyl thiofuryl butanal
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
2-
methyl-3-thioacetoxytetrahydrofuran
FL
propyl 2-mercaptopropionate
FL
2-
pyridinyl methane thiol
FL
thialdine
FL
smoked
turkey flavor
FL
roasted
furfuryl thioacetate
FL/FR
smoky
4-
ethyl phenol
FL/FR
2-
methoxy-4-vinyl phenol
FL/FR
prosopis juliflora wood extract
FL
sulfurous
2-
naphthyl mercaptan
FL
roasted butanol
FL
 
Potential Uses:
FLnut
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzenethiol, 2-ethyl-
 benzenethiol, O-ethyl-
2-ethyIthiophenol
o-ethyl benzene thiol
ortho-ethyl benzene thiol
2-ethyl benzenethiol
o-ethyl benzenethiol
2-ethyl phenyl mercaptan
2-ethyl thiophenol
2-ethyl thiophenol (syn)
2-ethyl(thiophenol)
2-ethylbenzenethiol
o-ethylbenzenethiol
 ethylbenzenethiol, o-
2-ethylphenyl mercaptan
2-ethylphenylmercaptan
2-(ethylthio)phenol
2-ethylthiophenol (food grade)
 
 
Notes:
Flavouring ingredient esp. for instant coffee
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