pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine 116505-60-3

pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine

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IUPAC name :

2,4-dimethyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine

InChI :

InChI=1/C8H15NS2/c1-6-9-5-3-4-8(9)11-7(2)10-6/h6-8H,3-5H2,1-2H3

InChIKey :

OJEOXDLLIADRBL-UHFFFAOYAQ

SMILES :

CC1N2CCCC2SC(S1)C

cas number :	116505-60-3
fema number :	4321
jecfa number :	1763
fl. number :	15.055
molar refractivity :	54.84 ± 0.4 cm3
parachor :	416.3 ± 6.0 cm3
index of refraction :	1.600 ± 0.03
surface tension :	45.7 ± 5.0 dyne/cm
density :	1.18 ± 0.1 g/cm3
polarizability :	21.74 ± 0.5 10-24cm3
xlogp :	2.00
molecular weight :	189.3414000
formula :	C8 H15 N S2

fda reg :

unspecified

h. number :

unspecified

organoleptics :

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in propylene glycol.

meaty cooked roasted

properties :

appearence :

pale yellow to amber crystalline solid

assay :

96.00 - 100.00 %

Food Chemicals Codex Listed :

melting point :

50.00 - 53.00 °C. @ 760.00 mm Hg

boiling point :

120.00 - 121.00 °C. @ 760.00 mm Hg

logp :

2.37

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

114.00 °F. TCC ( 45.56 °C. )

recommendation for pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine 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.

4321

average usual ppm

average maximum ppm

baked goods :

0.02000

0.10000

beverages(nonalcoholic) :

beverages(alcoholic) :

breakfast cereal :

cheese :

0.02000

0.10000

chewing gum :

condiments / relishes :

0.02000

0.10000

confectionery froastings :

egg products :

fats / oils :

0.02000

0.10000

fish products :

0.02000

0.10000

frozen dairy :

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

0.02000

0.10000

hard candy :

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

0.02000

0.10000

milk products :

nut products :

other grains :

poultry :

0.02000

0.10000

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

0.02000

0.10000

snack foods :

0.02000

0.10000

soft candy :

soups :

0.02000

0.10000

sugar substitutes :

sweet sauces :

safety links :

chemidplus :

116505-60-3

epa-srs :

116505-60-3

other :

references :

jecfa number :

1763

fl. number :

15.055

pubchem :

11077003

NIST Chemistry WebBook :

3612556949

synonyms :
2,4-	dimethyl tetrahydropyrrolo(2,1-d)(1,3,5)dithiazine
2,4-	dimethyl-1-aza-3,5-dithiabicyclo(4.3.0)nonane
2,4-	dimethyl(4H)pyrrolidino(1,2E)-1,3,5-dithiazine
	pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
soluble in :
	alcohol
	water, very slightly
insoluble in :
	water
(odor and/or flavor) blends with :
5-	acetyl-2,3-dihydro-1,4-thiazine
S-	allyl-laevo-cysteine
2-	butyl-2-butenal
3,6-	diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture
3-(	ethyl thio) butanol
(Z+E)-5-	ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-	ethyl-4-methyl-2-(2-methyl propyl) thiazoline
	lactoyl ethanolamine
	lactoyl ethanolamine phosphate
2-	methyl thiazolidine
(±)-3-(	methyl thio) heptanal
3-(	methyl thio) methyl thiophene
12-	methyl tridecanal
2-	methyl-1-methyl thio-2-butene
1-	phenyl-3(5)-propyl pyrazole
3-iso	propenyl pentane dioic acid
	propyl 2-mercaptopropionate
3-	thienyl mercaptan
2,4,6-	trithiaheptane 10% in triacetin
(odor and/or flavor) used in :
	meat
natural occurrence in :
	shellfish roasted shellfish

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