1-phenethyl mercaptan
(+/-)-1-phenylethylmercaptan
 
Notes:
Used as a food additive [EAFUS]
  • Endeavour Specialty Chemicals
    • Endeavour Specialty Chemicals Ltd
      Expertise in Small to Medium Scale Chemical Manufacturing
      Endeavour Speciality Chemicals offers high-impact aroma chemicals, all produced at the highest standards of quality.
      Endeavour Speciality Chemical has 25 years' experience of manufacturing high-impact aroma chemicals. With our core expertise in sulfur and heterocyclic chemistries, Endeavour's products have applications in a range of industry sectors including flavours and fragrances, pharmaceutical research and material sciences. Endeavour also offer custom synthesis and contract manufacturing services at their UK manufacturing site.
      Email: Info
      Email: Sales
      Voice: +44 (0)1327 310 079
      Fax: +44 (0)1327 310 701
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      Speciality Chemical Product Groups
      Product(s):
      TH0070 1-Phenylethyl mercaptan 98% F&F
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      16-34290 1-PHENYLETHYL MERCAPTAN, Kosher
       
  • Treatt
Synonyms   Articles   Notes   Search
1-phenylethanethiol (Click)
CAS Number: 6263-65-6Picture of molecule
Other: 75081-57-1
FDA UNII: 62EE7Q6MB0
Nikkaji Web: J475.281C
MDL: MFCD00053515
XlogP3: 2.40 (est)
Molecular Weight: 138.23270000
Formula: C8 H10 S
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Specifications (Flavour Industry, 2005h). Racemate (EFFA, 2010a).
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
IBM Patents: Obtain
Obtain
Pubchem Patents: Search
JECFA Food Flavoring: 1665  (+/-)-1-phenylethylmercaptan
Flavis Number: 12.289 (Old)
DG SANTE Food Flavourings: 12.289  (+/-)-1-phenylethylmercaptan
FEMA Number: 4061  (+/-)-1-phenylethylmercaptan
FDA Mainterm: (+/-)-1-PHENYLETHYLMERCAPTAN
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Physical Properties:
Appearance: pale yellow to yellow clear oily liquid (est)
Assay: 95.00 to 100.00 % 
Additional Assay Information: racemate
Food Chemicals Codex Listed: No
Specific Gravity: 1.00100 to 1.00700 @  25.00 °C.
Pounds per Gallon - (est).: 8.329 to  8.379
Refractive Index: 1.55200 to 1.55800 @  20.00 °C.
Boiling Point: 199.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.465000 mm/Hg @ 25.00 °C. (est)
Flash Point: 172.00 °F. TCC ( 77.78 °C. )
logP (o/w): 2.939 (est)
Soluble in:
 alcohol
 water, 283.4 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
2-phenethyl mercaptan
phenyl mercaptan
prenyl mercaptan
propyl mercaptan
isopropyl mercaptan
2-thienyl mercaptan
3-thienyl mercaptan
tridecyl mercaptan
undecyl mercaptan
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Organoleptic Properties:
Odor Type: sulfurous
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 sulfurous  floral  tropical  meaty  
Odor Description:
at 0.10 % in propylene glycol. 
sulfurous floral tropical meaty
  
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Cosmetic Information:
None found
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Suppliers:
Endeavour Specialty Chemicals
1-Phenylethyl mercaptan 98% F&F
Speciality Chemical Product Groups
Penta International
1-PHENYLETHYL MERCAPTAN, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
1-Phenylethyl mercaptan
Sigma-Aldrich: Aldrich
For experimental / research use only.
1-Phenylethyl mercaptan
Treatt
1-Phenylethyl mercaptan 0.01% in TEC
Kosher
Treatt
1-Phenylethyl mercaptan
Halal, Kosher
Odor: Sulphurous, floral, tropical and meaty notes
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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
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Safety in Use Information:
Category: flavoring agents
Recommendation for 1-phenethyl mercaptan usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 14 (μg/person/day)
Threshold of Concern:540 (μg/person/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: 21
Click here to view publication 21
 average usual ppmaverage maximum ppm
baked goods: 0.002000.04000
beverages(nonalcoholic): 0.001000.02000
beverages(alcoholic): -0.00500
breakfast cereal: --
cheese: --
chewing gum: 0.002000.01500
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: 0.001000.00800
granulated sugar: --
gravies: --
hard candy: 0.002000.02500
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.001001.00000
snack foods: 3.002000.04000
soft candy: --
soups: 0.005001.00000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.001000.00800
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): 0.001000.00800
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.002000.02500
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 0.002000.04000
Meat and meat products, including poultry and game (08.0): 0.002000.02500
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.005001.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.001000.02000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.002000.02500
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.100000.50000
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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 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev5 (2012)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 6263-65-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 141850
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 1-phenylethanethiol
Chemidplus: 0006263656
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References:
 1-phenylethanethiol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 141850
Pubchem (sid): 135231317
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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): HMDB32467
FooDB: FDB010072
Export Tariff Code: 2930.90.9999
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
acidic
2-ethyl butyric acidFL/FR
caramellic
 maltyl isobutyrateFL/FR
citrus
 grapefruit mercaptanFL/FR
coconut
delta-octalactoneFL/FR
ethereal
isopropyl formateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
 allyl octanoateFL/FR
floral
 benzyl isobutyrateFL/FR
 citronellyl acetateFL/FR
 geranyl propionateFL/FR
beta-ocimeneFL/FR
 phenethyl acetateFL/FR
 rose butanoateFL/FR
fruity
 allyl butyrateFL/FR
 allyl hexanoateFL/FR
 allyl propionateFL/FR
 amyl butyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl propionateFL/FR
 berry hexanoateFR
 berry pentadienoateFL/FR
isobutyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 butyl valerateFL/FR
 cyclohexyl carboxylic acidFL/FR
 ethyl 2-octenoateFL/FR
 geranyl methyl tiglate 
3-mercaptohexyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl nonanoateFL/FR
 plum crotonateFR
isopropyl 2-methyl butyrateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
1-penten-3-olFL/FR
 terpinyl propionateFL/FR
herbal
 jambu oleoresinFL/FR
 viridiflorolFL/FR
phenolic
2'-hydroxyacetophenoneFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 grapefruit menthaneFL/FR
 lychee mercaptan acetateFL/FR
 mango thiolFL/FR
 passiflora acetateFL/FR
S-tropical 2-thiobutyrateFL/FR
terpenic
gamma-terpineneFL/FR
tropical
 genet absoluteFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 hotrienolFL/FR
 tropical 3-thiobutyrateFL/FR
2-tropical oxathianeFL/FR
waxy
 ethyl nonanoateFL/FR
 nonyl acetateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
isoamyl 3-methyl thiopropionateFL
 ethyl 3-octenoateFL
S-(methyl thio) hexanoateFL
S-tropical 2-thiobutyrateFL/FR
2-tropical oxathianeFL/FR
 viridiflorolFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
acidic
2-ethyl butyric acidFL/FR
alliaceous
 allyl propionateFL/FR
 dipropyl trisulfideFL
 tropical thiazoleFL/FR
caramellic
 maltyl isobutyrateFL/FR
cheesy
 methyl ketonesFL
citrus
 grapefruit mercaptanFL/FR
coconut
delta-octalactoneFL/FR
cooling
 jambu oleoresinFL/FR
fatty
 allyl octanoateFL/FR
floral
 citronellyl acetateFL/FR
 hotrienolFL/FR
 tropical iononeFL/FR
fruity
 allyl hexanoateFL/FR
 amyl butyrateFL/FR
isoamyl propionateFL/FR
 benzyl isobutyrateFL/FR
 berry pentadienoateFL/FR
isobutyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 butyl valerateFL/FR
 cyclohexyl carboxylic acidFL/FR
 ethyl 2-octenoateFL/FR
 geranyl methyl tiglate 
3-mercaptohexyl hexanoateFL
 methyl 2-methyl valerateFL/FR
isopropyl 2-methyl butyrateFL/FR
isopropyl formateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 rose butanoateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical trithianeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
 allyl butyrateFL/FR
isoamyl isovalerateFL/FR
 cassis pentanoneFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
beta-ocimeneFL/FR
1-penten-3-olFL/FR
 terpinyl propionateFL/FR
hay
 genet absoluteFL/FR
honey
 phenethyl acetateFL/FR
juicy
 ethyl (E,Z)-2,4-decadienoateFL/FR
 lychee mercaptan acetateFL/FR
meaty
3-mercapto-2-butanoneFL
naphthyl
2'-hydroxyacetophenoneFL/FR
oily
 tetrahydrofurfuryl propionateFL
sulfurous
 buchu mercaptanFL/FR
 grapefruit menthaneFL/FR
 mango thiolFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
terpenic
gamma-terpineneFL/FR
tropical
3-mercaptohexyl acetateFL/FR
3-mercaptohexyl butyrateFL
 passiflora acetateFL/FR
vegetable
2-octen-4-oneFL/FR
waxy
 ethyl nonanoateFL/FR
 geranyl propionateFL/FR
 nonyl acetateFL/FR
winey
 methyl nonanoateFL/FR
 
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Potential Uses:
 fruit tropical fruit 
 meat 
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Occurrence (nature, food, other): note
 citrus nobilis lour. var. microcarpa hassk.
Search Trop  Picture
 mushroom
Search  Picture
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Synonyms:
 benzenemethanethiol, a-methyl-
1-mercapto-1-phenylethane
(±)-alpha-methyl benzene methane thiol
1-phenethyl thiol
(±)-1-phenyl ethane thiol
(±)-1-phenyl ethyl mercaptan
1-phenyl ethyl thiol
1-phenylethanethiol
(±)-1-phenylethyl mercaptan
1-phenylethyl mercaptan
(+/-)-1-phenylethylmercaptan
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