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2-phenethyl mercaptan
2-phenylethane-1-thiol

Supplier Sponsors

Name:2-phenylethanethiol
CAS Number: 4410-99-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:224-563-9
FDA UNII:I4TH2T2INY
Nikkaji Web:J205.789A
Beilstein Number:1446618
MDL:MFCD00004891
CoE Number:11561
XlogP3:2.60 (est)
Molecular Weight:138.23270000
Formula:C8 H10 S
BioActivity Summary:listing
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:527 phenethyl mercaptan
FLAVIS Number:12.194 (Old)
DG SANTE Food Flavourings:12.194 2-phenylethane-1-thiol
FEMA Number:3894 phenethyl mercaptan
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):4410-99-5 ; PHENYLETHYL MERCAPTAN
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.02700 to 1.03700 @ 25.00 °C.
Pounds per Gallon - (est).: 8.546 to 8.629
Refractive Index:1.56000 to 1.61500 @ 20.00 °C.
Boiling Point: 217.00 to 218.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.238000 mmHg @ 25.00 °C. (est)
Flash Point: 195.00 °F. TCC ( 90.56 °C. )
logP (o/w): 2.900 (est)
Soluble in:
 alcohol
 heptane
 triacetin
 water, 245.2 mg/L @ 25 °C (est)
Similar Items:note
allyl mercaptan
amyl mercaptan
isoamyl mercaptan
sec-amyl mercaptan
tert-amyl mercaptan
benzyl mercaptan
buchu mercaptan
butyl mercaptan
isobutyl mercaptan
tert-butyl mercaptan
cetyl mercaptan
cyclohexyl mercaptan
cyclopentyl mercaptan
decyl mercaptan
dodecyl mercaptan
2-ethyl hexyl mercaptan
ethyl mercaptan
ethylene mercaptan
furfuryl mercaptan
grapefruit mercaptan
heptyl mercaptan
hexyl mercaptan
methyl mercaptan
2-naphthyl mercaptan
nonyl mercaptan
octyl mercaptan
peach mercaptan
1-phenethyl mercaptan
phenyl mercaptan
prenyl mercaptan
propyl mercaptan
isopropyl mercaptan
2-thienyl mercaptan
3-thienyl mercaptan
tridecyl mercaptan
undecyl mercaptan
 
Organoleptic Properties:
Odor Type: rubbery
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
rubbery sulfurous
Odor Description:at 0.10 % in propylene glycol. rubber sulfurous
Odor and/or flavor descriptions from others (if found).
FCI SAS
PHENYLETHYL THIOL
Odor Description:rubber barbecue
 
Cosmetic Information:
None found
 
Suppliers:
Ambles Nature et Chimie
2-PHENYL ETHYL MERCAPTAN
Anhui Suzhou Jinli Aromatic Chemicals
b-Phenethyl Mercaptan
Odor: irritative roast
Beijing Lys Chemicals
Phenylethyl mercaptan
BOC Sciences
For experimental / research use only.
2-Phenethyl Mercaptan
DeLong Chemicals America
Phenylethyl mercaptan
FCI SAS
PHENYLETHYL THIOL
Odor: rubber barbecue
Jiangyin Healthway
beta-Phenyl ethyl mercaptan
New functional food ingredients
Jinan Enlighten Chemical Technology(Wutong Aroma )
2-Phenylethyl mercaptan, Kosherk
M&U International
BETA-PHENETHYL MERCAPTAN, Kosher
Penta International
2-PHENYLETHYL MERCAPTAN
Santa Cruz Biotechnology
For experimental / research use only.
2-Phenylethanethiol
Sigma-Aldrich
Phenylethyl mercaptan, ≥99%, FG
Certified Food Grade Products
Sunaux International
beta-Phenethyl Mercaptan
TCI AMERICA
For experimental / research use only.
2-Phenylethanethiol >97.0%(GC)(T)
Tengzhou Jitian Aroma Chemiclal
2-Phenethyl Mercaptan
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
 
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-phenethyl mercaptan usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Structure Class: II
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: 0.050000.10000
beverages(nonalcoholic): 0.001000.01000
beverages(alcoholic): 0.005000.05000
breakfast cereal: 0.010000.05000
cheese: --
chewing gum: 0.050000.10000
condiments / relishes: 0.001000.01000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.005000.05000
hard candy: 0.010000.05000
imitation dairy: --
instant coffee / tea: 0.001000.01000
jams / jellies: --
meat products: 0.010000.05000
milk products: 0.005000.05000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 0.010000.05000
soft candy: --
soups: 0.001000.01000
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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :78126
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-phenylethanethiol
Chemidplus:0004410995
 
References:
 2-phenylethanethiol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):78126
Pubchem (sid):135034368
Flavornet:4410-99-5
Pherobase:View
 
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):HMDB32637
FooDB:FDB010585
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Phenethyl mercaptan
 
Potential Blenders and core components note
For Odor
No odor group found for these
butylated
hydroxyanisole
CS
sulfurous
sulfurous
benzothiazole
FL/FR
For Flavor
earthy
2-
thienyl disulfide
FL
meaty
benzothiazole
FL/FR
ortho-
thiocresol
FL
sulfurous
2-
naphthyl mercaptan
FL
vegetable
tyramine
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 citrus nobilis var. microcarpa hassk.
Search Trop Picture
 skunk
Search PMC Picture
 wine
Search Picture
 
Synonyms:
 phenethyl mercaptan
beta-phenethyl mercaptan
2-phenethyl thiol
2-phenyl ethane thiol
2-phenyl ethane-1-thiol
 phenyl ethyl mercaptan
2-phenyl ethyl mercaptan
beta-phenyl ethyl mercaptan
2-phenyl ethyl thiol
2-phenyl-ethanethiol
2-phenylethane-1-thiol
2-phenylethanethiol
 phenylethyl mercaptan
2-phenylethyl mercaptan
 
 
Notes:
Food flavouring
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