2-propionyl-2-thiazoline 29926-42-9

2-propionyl-2-thiazoline

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IUPAC name :

1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-one

InChI :

InChI=1/C6H9NOS/c1-2-5(8)6-7-3-4-9-6/h2-4H2,1H3

InChIKey :

MFQABLFJUQNPAC-UHFFFAOYAE

SMILES :

CCC(=O)C1=NCCS1

cas number :	29926-42-9
fema number :	4064
jecfa number :	1760
fl. number :	15.128
molar refractivity :	39.17 ± 0.5 cm3
parachor :	298.6 ± 8.0 cm3
index of refraction :	1.590 ± 0.05
surface tension :	43.9 ± 7.0 dyne/cm
density :	1.23 ± 0.1 g/cm3
polarizability :	15.53 ± 0.5 10-24cm3
xlogp :	0.50
molecular weight :	143.2067600
formula :	C6 H9 O N S

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor description :

meaty nutty cooked roasted

properties :

appearence :

colorless to pale yellow clear liquid

assay :

99.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.23000 to 1.24500 @ 25.00 °C.

pounds per gallon - calc. :

10.235 to 10.360

refractive index :

1.51400 to 1.51700 @ 20.00 °C.

boiling point :

237.00 to 241.00 °C. @ 760.00 mm Hg

logp :

-0.36

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

209.00 °F. TCC ( 98.33 °C. )

recommendation for 2-propionyl-2-thiazoline 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 : 21.

4064

average usual ppm

average maximum ppm

baked goods :

0.40000

1.00000

beverages(nonalcoholic) :

0.01000

0.08000

beverages(alcoholic) :

0.04000

0.20000

breakfast cereal :

0.01000

0.05000

cheese :

chewing gum :

0.04000

1.00000

condiments / relishes :

confectionery froastings :

0.04000

0.20000

egg products :

fats / oils :

0.04000

0.20000

fish products :

frozen dairy :

0.16000

0.80000

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

0.02000

0.10000

hard candy :

0.08000

0.80000

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

0.04000

0.40000

milk products :

0.02000

0.08000

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

0.08000

0.80000

snack foods :

0.08000

0.80000

soft candy :

0.08000

0.80000

soups :

sugar substitutes :

sweet sauces :

safety links :

chemidplus :

29926-42-9

EPA Substance Registry Services :

29926-42-9

NLM Chemical Carcinogenesis Research Information System :

29926-42-9

NLM Developmental and Reproductive Toxicity :

29926-42-9

NLM Env. Mutagen Info. Center :

29926-42-9

NLM GENetic TOXicology :

29926-42-9

EPI System :

view

other :

references :

jecfa number :

1760

fl. number :

15.128

pubchem :

1491819729

NIST Chemistry WebBook :

1491819729

synonyms :
1-(4,5-	dihydro-2-thiazolyl)-1-propanone
2-	propionyl-2-thiazoline
1-(2-	thiazolin-2-yl)-1-propanone
soluble in :
	alcohol
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
3,5-	diethyl-2-methyl pyrazine
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
	hazelnut pyrazine
	lactoyl ethanolamine
	lactoyl ethanolamine phosphate
(±)-3-(	methyl thio) heptanal
3-(	methyl thio) methyl thiophene
2-	methyl-1-methyl thio-2-butene
2-	methyl-3-(methyl thio) pyrazine
3-iso	propenyl pentane dioic acid
	propyl 2-mercaptopropionate
	pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
	thiazole
2,4,6-	trithiaheptane 10% in triacetin
(odor and/or flavor) used in :
	meat
natural occurrence in :
	not found in nature

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