S-allyl-laevo-cysteine
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    • Penta International Corporation
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      Product(s):
      01-18300 S-ALLYL-L-CYSTEINE
       
 
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2-amino-3-prop-2-enylsulfanylpropanoic acid (Click)
CAS Number: 21593-77-1
FDA UNII:81R3X99M15
MDL:MFCD00151975
FEMA Number:4322
XlogP3-AA:-2.10 (est)
Molecular Weight:161.22407000
Formula:C6 H11 N O2 S
BioActivity Summary:listing
NMR Predictor:Predict
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
Pubchem Patents:Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring:1710  S-allyl-L-cysteine
Flavis Number:17.036 (Old)
EU SANCO Food Flavourings:17.036  S-allyl-L-cysteine

FEMA Number:4322  S-allyl-L-cysteine
FDA Mainterm: 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
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Organoleptic Properties:
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
Odor Description:
at 0.10 % in propylene glycol. 
cooked roasted
  
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Cosmetic Information:
None found
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Suppliers:
Axsyn
L-Cysteine,S-2-propen-1-yl-
For experimental / research use only.
ExtraSynthese
S-Allyl-L-cysteine (HPLC) ≥98%
For experimental / research use only.
Jalor-Chem
S-Allyl-L-Cysteine
For experimental / research use only.
Penta International
S-ALLYL-L-CYSTEINE
Santa Cruz Biotechnology
L-Deoxyalliin
For experimental / research use only.
Sigma-Aldrich: Sigma
S-Allyl-L-cysteine ≥98% (HPLC)
For experimental / research use only.
TCI AMERICA
S-Allyl-L-cysteine >98.0%(LC)(T)
For experimental / research use only.
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Safety Information:
Oral/Parenteral Toxicity:
  Not determined
Dermal Toxicity:
  Not determined
Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category:flavoring agents
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
IFRA Purity Specification:< 0.1% free allyl alcohol
Recommendation for S-allyl-laevo-cysteine 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: 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)
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
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA ACToR:Toxicology Data
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
 2-amino-3-prop-2-enylsulfanylpropanoic acid
DTP/NCI:96449
Chemidplus:0021593771
RTECS:HA2466200 for cas# 21593-77-1
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References:
 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
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
5-acetyl-2,3-dihydro-1,4-thiazineFL
 allyl disulfideFL
 allyl mercaptanFL
 allyl methyl disulfideFL
 allyl methyl sulfideFL
 allyl methyl trisulfideFL
 allyl propyl disulfideFL
 allyl propyl sulfideFL
 allyl propyl trisulfideFL
 allyl sulfideFL
 allyl thiopropionateFL
 ferula assa-foetida absoluteFL/FR
 benzyl mercaptanFL
1,3-butane dithiolFL
 butyl mercaptanFL
2-butyl-2-butenalFL
 cyclopentyl mercaptanFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
 diethyl disulfideFL
 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 sulfoxideFL
 dimethyl tetrasulfideFL
 dipropyl sulfideFL
 dipropyl trisulfideFL
1,4-dithianeFL
 ethyl 3-(furfuryl thio) propionateFL
 ethyl isothiocyanateFL
 ethyl methyl sulfideFL
 ethyl methyl trisulfideFL
 ethyl propyl disulfideFL
 ethyl propyl trisulfideFL
3-(ethyl thio) butanolFL
S-ethyl thioacetateFL
 ethyl vinyl ketoneFL/FR
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 furfuryl methyl sulfideFL
 furfuryl thiopropionateFL
 garlic oil chinaFL/FR
 garlic oleoresinFL
 grapefruit mercaptanFL/FR
 hexyl mercaptanFL
 lactoyl ethanolamineFL
 lactoyl ethanolamine phosphateFL
(R,S)-2-mercapto-3-butanolFL
 methyl 3-(methyl thio) propionateFL/FR
2-methyl 5-(methyl thio) furanFL/FR
 methyl mercaptanFL/FR
 methyl propyl disulfideFL
 methyl propyl trisulfideFL
4-(methyl thio) butanolFL
S-(methyl thio) butyrateFL/FR
(±)-3-(methyl thio) heptanalFL
3-(methyl thio) hexanolFL/FR
3-(methyl thio) methyl thiopheneFL
1-(methyl thio)-2-butanoneFL
2-methyl thioacetaldehydeFL
2-methyl-1-methyl thio-2-buteneFL
 phenyl mercaptanFL
1-phenyl-3(5)-propyl pyrazoleFL
3-isopropenyl pentane dioic acidFL
 propyl 2-mercaptopropionateFL
 propyl thioacetateFL
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazineFL
3-tetrahydrothiophenoneFL
ortho-thiocresolFL
 thiopheneFL
 tonka bean oleoresinFR
2,4,6-trithiaheptane 10% in triacetinFL
 truffle sulfideFL
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Potential Uses:
 garlicFL
 onionFL
 roasted 
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Natural Occurrence in: note
 garlic
GRIN Trop Picture
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Synonyms:
S-allyl cysteine
S-allyl L-cysteine
 allyl laevo-cysteine
(2R)-3-(allyl thio)-2-aminopropanoic acid
S-allyl-L-cysteine
S-allylcysteine
(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-
L-cysteine,S-2-propen-1-yl-
L-deoxyalliin
S-prop-2-en-1-ylcysteine
S-2-propenyl-L-cysteine
S-2-propenyl-laevo-cysteine
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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Soluble in:
 water, slightly
 water, 3.291e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
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