S-allyl-laevo-cysteine 21593-77-1

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
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
molecular weight :	161.2220400
formula :	C6 H11 N O2 S
BioActivity Analysis :	26749281

export tariff code :

unspecified

fda reg :

unspecified

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 :

melting point :

219.00 to 220.00 °C. @ 760.00 mm Hg

boiling point :

300.00 to 301.00 °C. @ 760.00 mm Hg

logp :

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

flash point ( Deg. F. ) :

275.00 °F. TCC ( 135.00 °C. )

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).

publication number : 23.

4322

average usual ppm

average maximum ppm

baked goods :

2.00000

25.00000

beverages(nonalcoholic) :

beverages(alcoholic) :

breakfast cereal :

2.00000

25.00000

cheese :

2.00000

25.00000

chewing gum :

condiments / relishes :

2.00000

25.00000

confectionery froastings :

egg products :

fats / oils :

2.00000

25.00000

fish products :

2.00000

25.00000

frozen dairy :

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

2.00000

25.00000

hard candy :

imitation dairy :

2.00000

25.00000

instant coffee / tea :

2.00000

25.00000

jams / jellies :

meat products :

2.00000

25.00000

milk products :

nut products :

2.00000

25.00000

other grains :

poultry :

2.00000

25.00000

processed fruits :

processed vegetables :

2.00000

25.00000

reconstituted vegetables :

2.00000

25.00000

seasonings / flavors :

2.00000

25.00000

snack foods :

2.00000

25.00000

soft candy :

soups :

2.00000

25.00000

sugar substitutes :

sweet sauces :

safety links :

chemidplus :

021593771

EPA Substance Registry Services :

21593-77-1

NLM Chemical Carcinogenesis Research Information System :

21593-77-1

NLM Developmental and Reproductive Toxicity :

21593-77-1

NLM Env. Mutagen Info. Center :

21593-77-1

NLM GENetic TOXicology :

21593-77-1

dtp/nci :

96449

EPI System :

view

other :

references :

jecfa number :

1710

pubchem :

675553

synonyms :
S-	allyl cysteine
(2R)-3-(	allyl thio)-2-aminopropanoic acid
S-	allyl-l-cysteine
S-	allyl-L-cysteine
S-	allyl-laevo-cysteine
(2R)-2-	amino-3-(prop-2-en-1-yl sulfanyl) propanoic 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-iso	propenyl 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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