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

1-phenethyl mercaptan
(+/-)-1-phenylethylmercaptan

Supplier Sponsors

CAS Number: 6263-65-6Picture of molecule3D/inchi
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:flavor and fragrance 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
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:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):6263-65-6 ; (+/-)-1-PHENYLETHYLMERCAPTAN
 
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 mmHg @ 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
 
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
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1-Phenyl ethanethiol
Penta International
1-PHENYLETHYL MERCAPTAN SYNTHETIC 1% IN TRIACETIN
Penta International
1-PHENYLETHYL MERCAPTAN
R C Treatt & Co Ltd
1-Phenylethyl mercaptan 0.01% in TEC
Kosher
R C Treatt & Co Ltd
1-Phenylethyl mercaptan
Halal, Kosher
Odor: Sulphurous, floral, tropical and meaty notes
Santa Cruz Biotechnology
For experimental / research use only.
1-Phenylethyl mercaptan
Sigma-Aldrich: Aldrich
For experimental / research use only.
1-Phenylethyl 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: flavor and fragrance 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
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
 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:
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
 
References:
 1-phenylethanethiol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):141850
Pubchem (sid):135231317
 
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):HMDB32467
FooDB:FDB010072
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
2-
ethyl butyric acid
FL/FR
caramellic
maltyl isobutyrate
FL/FR
citrus
grapefruit mercaptan
FL/FR
coconut
delta-
octalactone
FL/FR
ethereal
iso
propyl formate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
allyl octanoate
FL/FR
floral
para-
anisyl butyrate
FL/FR
benzyl isobutyrate
FL/FR
citronellyl acetate
FL/FR
citronellyl butyrate
FL/FR
geranyl phenyl acetate
FL/FR
geranyl propionate
FL/FR
beta-
ocimene
FL/FR
phenethyl acetate
FL/FR
phenethyl butyrate
FL/FR
rose butanoate
FL/FR
fruity
allyl butyrate
FL/FR
allyl hexanoate
FL/FR
allyl propionate
FL/FR
amyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl propionate
FL/FR
berry hexanoate
FR
berry pentadienoate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl valerate
FL/FR
citronellyl isobutyrate
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl 2-octenoate
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl nonanoate
FL/FR
plum crotonate
FR
iso
propyl 2-methyl butyrate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
strawberry glycidate 2
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
tropical trithiane
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
hexyl 2-methyl butyrate
FL/FR
1-
penten-3-ol
FL/FR
terpinyl propionate
FL/FR
herbal
jambu oleoresin
FL/FR
viridiflorol
FL/FR
phenolic
2'-
hydroxyacetophenone
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
grapefruit menthane
FL/FR
lychee mercaptan acetate
FL/FR
mango thiol
FL/FR
passiflora acetate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
genet absolute
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
hotrienol
FL/FR
tropical 3-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
waxy
ethyl nonanoate
FL/FR
nonyl acetate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
iso
amyl 3-methyl thiopropionate
FL
ethyl 3-octenoate
FL
S-(
methyl thio) hexanoate
FL
S-
tropical 2-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
viridiflorol
FL/FR
acidic
acidic
2-
ethyl butyric acid
FL/FR
alliaceous
allyl propionate
FL/FR
dipropyl trisulfide
FL
tropical thiazole
FL/FR
anisic
para-
anisyl butyrate
FL/FR
cheesy
methyl ketones
FL
citrus
grapefruit mercaptan
FL/FR
coconut
delta-
octalactone
FL/FR
cooling
jambu oleoresin
FL/FR
fatty
allyl octanoate
FL/FR
floral
citronellyl acetate
FL/FR
geranyl phenyl acetate
FL/FR
hotrienol
FL/FR
tropical ionone
FL/FR
fruity
allyl hexanoate
FL/FR
amyl butyrate
FL/FR
iso
amyl propionate
FL/FR
benzyl isobutyrate
FL/FR
berry pentadienoate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl valerate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl 2-octenoate
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
3-
mercaptohexyl hexanoate
FL
methyl 2-methyl valerate
FL/FR
phenethyl butyrate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl formate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
rose butanoate
FL/FR
strawberry glycidate 2
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical trithiane
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
allyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
cassis pentanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
hexyl 2-methyl butyrate
FL/FR
beta-
ocimene
FL/FR
1-
penten-3-ol
FL/FR
terpinyl propionate
FL/FR
hay
genet absolute
FL/FR
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
juicy
lychee mercaptan acetate
FL/FR
meaty
3-
mercapto-2-butanone
FL
naphthyl
2'-
hydroxyacetophenone
FL/FR
oily
tetrahydrofurfuryl propionate
FL
sulfurous
buchu mercaptan
FL/FR
grapefruit menthane
FL/FR
mango thiol
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
3-
mercaptohexyl acetate
FL/FR
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
ethyl nonanoate
FL/FR
geranyl propionate
FL/FR
nonyl acetate
FL/FR
winey
methyl nonanoate
FL/FR
 
Potential Uses:
FLfruit tropical fruit
FLmeat
 
Occurrence (nature, food, other):note
 citrus nobilis lour. var. microcarpa hassk.
Search Trop Picture
 mushroom
Search PMC Picture
 
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
 
 
Notes:
Used as a food additive [EAFUS]
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy