1-phenethyl mercaptan
  • 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
      16-34290 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
      1-Phenylethyl mercaptan
      1-Phenylethyl mercaptan 0.01% in TEC
Synonyms   Articles   Notes   Search
1-phenylethanethiol (Click)
CAS Number: 6263-65-6
MDL: MFCD00053515
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"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
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
JECFA Food Flavoring: 1665  (+/-)-1-phenylethylmercaptan
Flavis Number: 12.289 (Old)
EU SANCO Food Flavourings: 12.289  (+/-)-1-phenylethylmercaptan

FEMA Number: 4061  (+/-)-1-phenylethylmercaptan
Synonyms   Articles   Notes   Search   Top
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)
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Endeavour Speciality Chemicals
1-Phenylethyl mercaptan 98%
Penta International
Santa Cruz Biotechnology
1-Phenylethyl mercaptan
For experimental / research use only.
Sigma-Aldrich: Aldrich
1-Phenylethyl mercaptan
For experimental / research use only.
1-Phenylethyl mercaptan 0.01% in TEC
1-Phenylethyl mercaptan
Odor: Sulphurous, floral, tropical and meaty notes
Synonyms   Articles   Notes   Search   Top
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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
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
DTP/NCI: 66561
Chemidplus: 0006263656
Synonyms   Articles   Notes   Search   Top
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 141850
Pubchem (sid): 135231317
Synonyms   Articles   Notes   Search   Top
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
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 allyl butyrateFL/FR
 allyl hexanoateFL/FR
 allyl octanoateFL/FR
 allyl propionateFL/FR
isoamyl 3-methyl thiopropionateFL
 amyl butyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl propionateFL/FR
 benzyl isobutyrateFL/FR
 berry hexanoateFR
 berry pentadienoateFL/FR
 buchu mercaptanFL/FR
isobutyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 butyl valerateFL/FR
 cassis pentanoneFL/FR
 citronellyl acetateFL/FR
 cyclohexyl carboxylic acidFL/FR
 dipropyl trisulfideFL
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3-octenoateFL
2-ethyl butyric acidFL/FR
 ethyl nonanoateFL/FR
 genet absoluteFL/FR
 geranyl methyl tiglate 
 geranyl propionateFL/FR
 grapefruit menthaneFL/FR
 grapefruit mercaptanFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 jambu oleoresinFL/FR
 lychee mercaptan acetateFL/FR
 maltyl isobutyrateFL/FR
 mango thiolFL/FR
3-mercaptohexyl acetateFL/FR
3-mercaptohexyl butyrateFL
3-mercaptohexyl hexanoateFL
 methyl 2-(methyl thio) butyrateFL
 methyl 2-methyl valerateFL/FR
 methyl ketonesFL
 methyl nonanoateFL/FR
S-(methyl thio) hexanoateFL
 methyl thiomethyl butyrateFL
 nonyl acetateFL/FR
 passiflora acetateFL/FR
 phenethyl acetateFL/FR
 plum crotonateFR
isopropyl 2-methyl butyrateFL/FR
isopropyl formateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 rose butanoateFL/FR
 terpinyl propionateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tetrahydrofurfuryl propionateFL
S-tropical 2-thiobutyrateFL/FR
 tropical 3-thiobutyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
2-tropical oxathianeFL/FR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 fruit tropical fruit 
Synonyms   Articles   Notes   Search   Top
Natural Occurrence in: note
 citrus nobilis lour. var. microcarpa hassk.
GRIN Trop Picture
Synonyms   Articles   Notes   Search   Top
 benzenemethanethiol, a-methyl-
(±)-alpha-methyl benzene methane thiol
1-phenethyl thiol
(±)-1-phenyl ethane thiol
(±)-1-phenyl ethyl mercaptan
1-phenyl ethyl thiol
(±)-1-phenylethyl mercaptan
1-phenylethyl mercaptan
Synonyms   Articles   Notes   Search   Top
Synonyms   Articles   Notes   Search   Top
click on the picture(s) below to
interact with the 3D model
Picture of molecule
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
Soluble in:
 water, 283.4 mg/L @ 25 °C (est)
Insoluble in:
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2015 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy