2,5-dimethyl thiazole 4175-66-0

2,5-dimethyl thiazole

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IUPAC name :

2,5-dimethyl-1,3-thiazole

InChI :

InChI=1/C5H7NS/c1-4-3-6-5(2)7-4/h3H,1-2H3

InChIKey :

WVUHHPQQQLBMOE-UHFFFAOYAB

SMILES :

CC1=CN=C(S1)C

cas number :	4175-66-0
fema number :	4035
jecfa number :	1758
fl. number :	15.063
molar refractivity :	32.37 ± 0.3 cm3
parachor :	259.8 ± 4.0 cm3
index of refraction :	1.530 ± 0.02
surface tension :	37.9 ± 3.0 dyne/cm
density :	1.081 ± 0.06 g/cm3
polarizability :	12.83 ± 0.5 10-24cm3
xlogp :	0.30
molecular weight :	113.1807800
formula :	C5 H7 N S

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor strength :

high ,
recommend smelling in a 0.01 % solution or less

odor description :
at 0.05 % in propylene glycol.

roasted nutty

properties :

appearence :

pale yellow to yellow clear liquid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.11400 to 1.12400 @ 20.00 °C.

pounds per gallon - calc. :

9.280 to 9.364

refractive index :

1.52300 to 1.52700 @ 20.00 °C.

boiling point :

148.00 to 150.00 °C. @ 760.00 mm Hg

logp :

1.56

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Maximised Survey-derived Daily Intakes (MSDI-EU) :

0.0061 (μg/capita/day)

modified Theoretical Added Maximum Daily Intake (mTAMDI) :

150 (μg/person/day)

Threshold of concern :

540 (μg/person/day)

flash point ( Deg. F. ) :

114.00 °F. TCC ( 45.56 °C. )

recommendation for 2,5-dimethyl thiazole 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.

4035

average usual ppm

average maximum ppm

baked goods :

5.00000

10.00000

beverages(nonalcoholic) :

2.00000

4.00000

beverages(alcoholic) :

3.00000

6.00000

breakfast cereal :

3.00000

6.00000

cheese :

chewing gum :

condiments / relishes :

confectionery froastings :

egg products :

fats / oils :

fish products :

frozen dairy :

3.00000

6.00000

fruit ices :

2.00000

4.00000

gelatins / puddings :

2.00000

4.00000

granulated sugar :

gravies :

2.00000

4.00000

hard candy :

4.00000

8.00000

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

3.00000

6.00000

milk products :

2.00000

4.00000

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

2.00000

4.00000

snack foods :

2.00000

4.00000

soft candy :

3.00000

6.00000

soups :

2.00000

4.00000

sugar substitutes :

sweet sauces :

Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).

Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.

average usage mg/kg

maximum usage mg/kg

Dairy products, excluding products of category 02.0 (01.0) :

0.40000

2.00000

Fats and oils, and fat emulsions (type water-in-oil) (02.0) :

0.20000

1.00000

Edible ices, including sherbet and sorbet (03.0) :

0.40000

2.00000

Processed fruit (04.1) :

0.30000

1.50000

Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) :

Confectionery (05.0) :

0.40000

2.00000

Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) :

0.20000

1.00000

Bakery wares (07.0) :

0.40000

2.00000

Meat and meat products, including poultry and game (08.0) :

0.10000

0.40000

Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) :

0.10000

0.40000

Eggs and egg products (10.0) :

Sweeteners, including honey (11.0) :

Salts, spices, soups, sauces, salads, protein products, etc. (12.0) :

0.20000

1.00000

Foodstuffs intended for particular nutritional uses (13.0) :

0.40000

2.00000

Non-alcoholic ("soft") beverages, excl. dairy products (14.1) :

0.20000

1.00000

Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) :

Ready-to-eat savouries (15.0) :

1.00000

5.00000

Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) :

0.20000

1.00000

safety links :

chemidplus :

004175660

EPA Substance Registry Services :

4175-66-0

NLM Chemical Carcinogenesis Research Information System :

4175-66-0

NLM Developmental and Reproductive Toxicity :

4175-66-0

NLM Env. Mutagen Info. Center :

4175-66-0

NLM GENetic TOXicology :

4175-66-0

EPI System :

view

other :

references :

jecfa number :

1758

fl. number :

15.063

pubchem :

654894

NIST Chemistry WebBook :

2740600034

synonyms :
2,5-	dimethyl thiazole
2,5-	dimethyl-1,3-thiazole
2,5-	dimethylthiazole
soluble in :
	alcohol
	water, slightly
insoluble in :
	water
(odor and/or flavor) blends with :
	acetyl pyrroline
2-	acetyl-3-methyl pyrazine
3,6-	cocoa pyrazine
6,7-	dihydro-2,3-dimethyl-5H-cyclopentapyrazine
	dimethyl dihydrocyclopentapyrazine
4,5-	dimethyl thiazole
	filbert heptenone
	furfuryl thioacetate
2-	heptyl furan
	nutty quinoxaline
2-	propionyl-2-thiazoline
	sulfuryl butyrate
	sulfuryl decanoate
	sulfuryl formate
	sulfuryl hexanoate
	sulfuryl isobutyrate
	sulfuryl octanoate
	sulfuryl propionate
(odor and/or flavor) used in :
	coffee
	nut
natural occurrence in :
	coffee

information only - not sold by The Good Scents Company.

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