2-propyl thiazole 17626-75-4

2-propyl thiazole

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IUPAC name :

2-propyl-1,3-thiazole

InChI :

InChI=1/C6H9NS/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3

InChIKey :

CMOIEFFAOUQJPS-UHFFFAOYAD

SMILES :

CCCC1=NC=CS1

(EINECS) number :	241-606-7
cas number :	17626-75-4
fl. number :	15.098
molar refractivity :	36.91 ± 0.3 cm3
parachor :	300.9 ± 4.0 cm3
index of refraction :	1.519 ± 0.02
surface tension :	37.6 ± 3.0 dyne/cm
density :	1.047 ± 0.06 g/cm3
polarizability :	14.63 ± 0.5 10-24cm3
xlogp :	1.30
molecular weight :	127.2073600
formula :	C6 H9 N S

export tariff code :

2934.10.0000

fda reg :

unspecified

organoleptics :

odor strength :

high ,
recommend smelling in a 0.01 % solution or less

odor description :
at 0.01 % in propylene glycol.

green herbal

properties :

appearence :

pale yellow clear liquid

assay :

98.00 - 100.00 %

Food Chemicals Codex Listed :

boiling point :

167.00 - 169.00 °C. @ 760.00 mm Hg

logp :

2.16

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

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

0.085 (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. ) :

129.00 °F. TCC ( 53.89 °C. )

recommendation for 2-propyl thiazole usage levels up to :

not for fragrance use.

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.

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 :

(EINECS) number :

241-606-7

chemidplus :

017626754

epa-srs :

17626-75-4

other :

references :

fl. number :

15.098

pubchem :

664027

NIST Chemistry WebBook :

21514038

synonyms :
2-	propyl thiazole
2-	propyl-1,3-thiazole
2-	propylthiazole
stability :
	stable in most media
(odor and/or flavor) used in :
	coffee
	green
	herbal
	nut
	vegetable
natural occurrence in :
	coffee

information only - not sold by The Good Scents Company.

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