S-allyl-laevo-cysteine
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IUPAC name :2-amino-3-prop-2-enylsulfanylpropanoic acid
InChI :InChI=1/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
InChIKey :ZFAHNWWNDFHPOH-UHFFFAOYAF
SMILES :C=CCSCC(C(=O)O)N
cas number :21593-77-1
fema number :4322
jecfa number :1710
fl. number :17.036
molar refractivity :42.62 ± 0.3 cm3
parachor :358.7 ± 4.0 cm3
index of refraction :1.542 ± 0.02
surface tension :49.3 ± 3.0 dyne/cm
density :1.191 ± 0.06 g/cm3
polarizability :16.89 ± 0.5 10-24cm3
XlogP : -1.90
XlogP3-AA : -2.10
molecular weight : 161.2220400 (IUPAC)
formula :C6 H11 N O2 S
BioActivity Analysis :26749281
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Nanjing :L-Cysteine, S-2-propen-1-yl-
orders in chinese.
TCI AMERICA :S-Allyl-L-cysteine
>98.0%(LC)(T)
organoleptics :
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in propylene glycol.  		cooked roasted
properties :
appearence :white to tan powder
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 219.00 to 220.00 °C. @ 760.00 mm Hg
boiling point : 300.00 to 301.00 °C. @ 760.00 mm Hg
vapor pressure :0.00100 mm/Hg @ 25.00 °C.
flash point : 275.00  °F.  TCC  ( 135.00 °C. )
logP (o/w) : 1.31
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
 
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for S-allyl-laevo-cysteine 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 "LIBRARY" 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 : --
safety references :
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
 
 
 
 
2-amino-3-prop-2-enylsulfanylpropanoic acid
chemidplus :021593771
EPA Substance Registry Services :21593-77-1
dtp/nci :96449
references :
 
2-amino-3-prop-2-enylsulfanylpropanoic acid
fl. number :17.036
jecfa number :1710
pubchem :675553
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
S-allyl cysteine
(2R)-3-(allyl thio)-2-aminopropanoic acid
S-allyl-l-cysteine
S-allyl-L-cysteine
(2R)-2-amino-3-(prop-2-en-1-yl sulfanyl) propanoic acid
2-amino-3-prop-2-enylsulfanylpropanoic acid
S-2-propenyl-laevo-cysteine
soluble in :
 water, slightly
insoluble in :
 water
stability :
potential blenders :    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
 asafetida 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 mixtureFL
 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
 garlic oleoresinFL
 hexyl mercaptanFL
 lactoyl ethanolamineFL
 lactoyl ethanolamine phosphateFL
1-para-menthene-8-thiolFL/FR
(R*,S*)-2-mercapto-3-butanolFL
 methyl 3-(methyl thio) propionateFL/FR
2-methyl 5-(methyl thio) furanFL
 methyl mercaptanFL
 methyl propyl disulfideFL
 methyl propyl trisulfideFL
2-(methyl thio) acetaldehydeFL
4-(methyl thio) butanolFL
S-(methyl thio) butyrateFL
(±)-3-(methyl thio) heptanalFL
3-(methyl thio) hexanolFL
bis(methyl thio) methaneFL
3-(methyl thio) methyl thiopheneFL
1-(methyl thio)-2-butanoneFL
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
potential uses :
 garlic
 onion
 roasted
natural occurrence in :    note
 garlic S

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