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-
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 :
 
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 "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 :
(odor and/or flavor) blends with :
5-acetyl-2,3-dihydro-1,4-thiazine
 allyl disulfide
 allyl mercaptan
 allyl methyl disulfide
 allyl methyl sulfide
 allyl methyl trisulfide
 allyl propyl disulfide
 allyl propyl sulfide
 allyl propyl trisulfide
 allyl sulfide
 allyl thiopropionate
 asafetida absolute
 benzyl mercaptan
1,3-butane dithiol
 butyl mercaptan
2-butyl-2-butenal
 cyclopentyl mercaptan
 diallyl polysulfides
 diallyl tetrasulfide
 diallyl trisulfide
 diethyl disulfide
 diethyl trisulfide
3,6-diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture
 diisopropyl sulfide
 diisopropyl trisulfide
 dimethyl sulfoxide
 dimethyl tetrasulfide
 dipropyl sulfide
 dipropyl trisulfide
1,4-dithiane
 ethyl 3-(furfuryl thio) propionate
 ethyl isothiocyanate
 ethyl methyl sulfide
 ethyl methyl trisulfide
 ethyl propyl disulfide
 ethyl propyl trisulfide
3-(ethyl thio) butanol
S-ethyl thioacetate
 ethyl vinyl ketone
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazoline
 furfuryl methyl sulfide
 furfuryl thiopropionate
 garlic oil china
 garlic oleoresin
 hexyl mercaptan
 lactoyl ethanolamine
 lactoyl ethanolamine phosphate
1-para-menthene-8-thiol
(R*,S*)-2-mercapto-3-butanol
 methyl 3-(methyl thio) propionate
2-methyl 5-(methyl thio) furan
 methyl mercaptan
 methyl propyl disulfide
 methyl propyl trisulfide
2-(methyl thio) acetaldehyde
4-(methyl thio) butanol
S-(methyl thio) butyrate
(±)-3-(methyl thio) heptanal
3-(methyl thio) hexanol
bis(methyl thio) methane
3-(methyl thio) methyl thiophene
1-(methyl thio)-2-butanone
2-methyl-1-methyl thio-2-butene
 phenyl mercaptan
1-phenyl-3(5)-propyl pyrazole
3-isopropenyl pentane dioic acid
 propyl 2-mercaptopropionate
 propyl thioacetate
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
3-tetrahydrothiophenone
ortho-thiocresol
 thiophene
 tonka bean oleoresin
2,4,6-trithiaheptane 10% in triacetin
(odor and/or flavor) used in :
 garlic
 onion
 roasted
natural occurrence in :
garlic



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