• 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):
      1-PHENYLETHYL MERCAPTAN, Kosher
       
  • Treatt
    • Treatt PLC
      Full Range of Naturals
      World-leading, independent ingredients supplier to the flavour and fragrance industries.
      We are proud of our heritage in trading essential oils. Our founder Richard Court Treatt's charismatic and personable approach still embodies the spirit of Treatt today.
      Email:Enquiries
      US Email:Enquiries
      Voice:+44 (0) 1284 702500
      Fax:+44 (0) 1284 703809
      US Voice:+1 863 668 9500
      US Fax:+1 863 668 3388
      Product(s):
      1-Phenylethyl mercaptan
      1-Phenylethyl mercaptan 0.01% in TEC
       
1-phenethyl mercaptan
  • Home
  • Suppliers
  • Organoleptics
      • Organoleptic Properties
        Odor Type :sulfurous
        Odor Strength :high ,
        recommend smelling in a 0.10 % solution or less
        Odor Description:
        at 0.10 % in propylene glycol. 
        sulfurous floral tropical meaty
  • Properties
      • 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)
  • Safety
      • Safety 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.
        Oral/Parenteral Toxicity : 
          Not determined
        Dermal Toxicity : 
          Not determined
        Inhalation Toxicity : 
          Not determined
  • Safety in Use
      • Safety in Use Information
        Category :flavoring agents
        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
        Recommendation for 1-phenethyl mercaptan fragrance 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 on the "Resources" link.
        publication number : 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
  • Safety References
      • 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):page or 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):page or 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):page or pdf
        EPI System :View
        Chemicalize.org :Calculate predicted properties
        EPA Substance Registry Services (TSCA) :6263-65-6
        EPA ACToR :Toxicology Data
        National Institute of Allergy and Infectious Diseases :Data
        WGK Germany :3
         1-phenylethanethiol
        DTP/NCI :66561
        Chemidplus :0006263656
  • Articles
1-phenylethanethiol (Click)
CAS Number : 6263-65-6
FEMA Number :4061
XlogP3 :2.40 (est)
Molecular Weight :138.23270000
Formula :C8 H10 S
BioActivity Summary :listing
NMR Predictor :Predict
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"SearchPerfumer and Flavorist : Search
Google Patents : Search US Patents : Search
EU Patents : Search IBM Patents : Obtain
Pubchem Patents:Search
JECFA Food Flavoring :1665  (+/-)-1-phenylethylmercaptan
Flavis Number :12.289 (Old)
EU SANCO Food Flavourings :12.289  (+/-)-1-phenylethylmercaptan

FEMA Number :4061  (+/-)-1-phenylethylmercaptan
FDA Mainterm : (+/-)-1-PHENYLETHYLMERCAPTAN
click on the picture(s) below to
interact with the 3D model
Picture of molecule
1-phenylethanethiol
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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Soluble in :
 alcohol
 water, 283.4 mg/L @ 25 °C (est)
Insoluble in :
 water
Stability :
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