Occurs in garlic. Potential nutriceutical
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      01-18300 S-ALLYL-L-CYSTEINE
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2-amino-3-prop-2-enylsulfanylpropanoic acid (Click)
CAS Number: 21593-77-1Picture of molecule
FDA UNII: 81R3X99M15
MDL: MFCD00151975
XlogP3-AA: -2.10 (est)
Molecular Weight: 161.22407000
Formula: C6 H11 N O2 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
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1710  S-allyl-L-cysteine
Flavis Number: 17.036 (Old)
DG SANTE Food Flavourings: 17.036  S-allyl-L-cysteine
FEMA Number: 4322  S-allyl-L-cysteine
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Physical Properties:
Appearance: white to tan powder (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.19100 @  25.00 °C.
Refractive Index: 1.54200 @  20.00 °C.
Melting Point: 214.00 to  216.00 °C. @ 760.00 mm Hg
Boiling Point: 300.00 to  301.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.001000 mm/Hg @ 25.00 °C.
Flash Point: 275.00 °F. TCC ( 135.00 °C. )
logP (o/w): 1.310
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage: refrigerate in tightly sealed containers.
Soluble in:
 water, slightly
 water, 3.291e+004 mg/L @ 25 °C (est)
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Organoleptic Properties:
Odor Type: roasted
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 cooked  roasted  
Odor Description:
at 0.10 % in propylene glycol. 
cooked roasted
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Cosmetic Information:
None found
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For experimental / research use only.
For experimental / research use only.
Changzhou Longo Chemical
For experimental / research use only.
S-Allyl-L-cysteine (HPLC) ≥98%
For experimental / research use only.
Penta International
Santa Cruz Biotechnology
For experimental / research use only.
Sigma-Aldrich: Sigma
For experimental / research use only.
S-Allyl-L-cysteine ≥98% (HPLC)
For experimental / research use only.
S-Allyl-L-cysteine >98.0%(LC)(T)
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Safety Information:
Preferred SDS: View
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
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Safety in Use Information:
Category: flavoring agents
IFRA Purity Specification: < 0.1% free allyl alcohol
Recommendation for S-allyl-laevo-cysteine usage levels up to:
 not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 30.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 2.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (μg/person/day)
NOEL (No Observed Effect Level): 250 (mg/kg bw per day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
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: 23
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: 2.0000025.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 2.0000025.00000
cheese: 2.0000025.00000
chewing gum: --
condiments / relishes: 2.0000025.00000
confectionery froastings: --
egg products: --
fats / oils: 2.0000025.00000
fish products: 2.0000025.00000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 2.0000025.00000
hard candy: --
imitation dairy: 2.0000025.00000
instant coffee / tea: 2.0000025.00000
jams / jellies: --
meat products: 2.0000025.00000
milk products: --
nut products: 2.0000025.00000
other grains: --
poultry: 2.0000025.00000
processed fruits: --
processed vegetables: 2.0000025.00000
reconstituted vegetables: 2.0000025.00000
seasonings / flavors: 2.0000025.00000
snack foods: 2.0000025.00000
soft candy: --
soups: 2.0000025.00000
sugar substitutes: --
sweet sauces: --
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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
Chemical Carcinogenesis Research Information System: Search
Cancer Citations: Search
Toxicology Citations: Search
Env. Mutagen Info. Center: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 98280
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 2-amino-3-prop-2-enylsulfanylpropanoic acid
Chemidplus: 0021593771
RTECS: HA2466200 for cas# 21593-77-1
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 2-amino-3-prop-2-enylsulfanylpropanoic acid
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 98280
Pubchem (sid): 135055894
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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
KEGG (GenomeNet): C16759
HMDB (The Human Metabolome Database): HMDB34323
FooDB: FDB012675
Export Tariff Code: 2930.90.9190
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: 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
 garlic oil chinaFL/FR
S-(methyl thio) butyrateFL/FR
 grapefruit mercaptanFL/FR
 tonka bean oleoresinFR
 ethyl vinyl ketoneFL/FR
 ferula assa-foetida absoluteFL/FR
 methyl 3-(methyl thio) propionateFL/FR
2-methyl 5-(methyl thio) furanFL/FR
 methyl mercaptanFL/FR
3-(methyl thio) hexanolFL/FR
For Flavor
No flavor group found for these
 allyl methyl disulfideFL
 allyl methyl trisulfideFL
 allyl propyl disulfideFL
 allyl propyl sulfideFL
 allyl propyl trisulfideFL
 butyl mercaptanFL
 diethyl trisulfideFL
3,6-diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceriFL
 diisopropyl sulfideFL
 diisopropyl trisulfideFL
 dimethyl tetrasulfideFL
 dipropyl sulfideFL
 ethyl 3-(furfuryl thio) propionateFL
 ethyl isothiocyanateFL
 ethyl methyl trisulfideFL
 ethyl propyl disulfideFL
 ethyl propyl trisulfideFL
3-(ethyl thio) butanolFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
4-(methyl thio) butanolFL
1-phenyl-3(5)-propyl pyrazoleFL
3-isopropenyl pentane dioic acidFL
3-(methyl thio) methyl thiopheneFL
 allyl disulfideFL
 allyl mercaptanFL
 allyl thiopropionateFL
 benzyl mercaptanFL
1,3-butane dithiolFL
 cyclopentyl mercaptanFL
 diethyl disulfideFL
 dipropyl trisulfideFL
 garlic oil chinaFL/FR
2-methyl thioacetaldehydeFL
 truffle sulfideFL
 grapefruit mercaptanFL/FR
 dimethyl sulfoxideFL
 allyl methyl sulfideFL
 garlic oleoresinFL
2-methyl-1-methyl thio-2-buteneFL
 phenyl mercaptanFL
 propyl 2-mercaptopropionateFL
3-(methyl thio) hexanolFL/FR
2-methyl 5-(methyl thio) furanFL/FR
S-(methyl thio) butyrateFL/FR
 methyl propyl disulfideFL
 methyl propyl trisulfideFL
 propyl thioacetateFL
 hexyl mercaptanFL
 lactoyl ethanolamineFL
 lactoyl ethanolamine phosphateFL
(±)-3-(methyl thio) heptanalFL
 ethyl vinyl ketoneFL/FR
 allyl sulfideFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
 ethyl methyl sulfideFL
S-ethyl thioacetateFL
 ferula assa-foetida absoluteFL/FR
 furfuryl methyl sulfideFL
 furfuryl thiopropionateFL
 methyl mercaptanFL/FR
1-(methyl thio)-2-butanoneFL
2,4,6-trithiaheptane 10% in triacetinFL
 methyl 3-(methyl thio) propionateFL/FR
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Potential Uses:
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Occurrence (nature, food, other): note
Search Trop  Picture
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S-allyl cysteine
S-allyl L-cysteine
 allyl laevo-cysteine
(2R)-3-(allyl thio)-2-aminopropanoic acid
(2R)-2-amino-3-(prop-2-en-1-yl sulfanyl) propanoic acid
2-amino-3-prop-2-enylsulfanylpropanoic acid
 cysteine, S-2-propen-1-yl-
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