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
cas number :17626-75-4
(EINECS) number :241-606-7
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 (IUPAC)
formula :C6 H9 N S
NMR Predictor :Predict
 
 
export tariff code :2934.10.0000
fda reg :unspecified

Suppliers :
Endeavour :2-Propyl-1,3-thiazole
98%
Penta :2-propyl thiazole
Tokyo Chemical Industry :2-Propylthiazole
>98.0%(GC)

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 liquid to solid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 78.00 °C. @ 760.00 mm Hg
boiling point : 170.00 to 172.00 °C. @ 760.00 mm Hg
flash point : 129.00  °F.  TCC  ( 53.89 °C. )
logP (o/w) : 2.16

safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.085 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :160 (μg/person/day)
Threshold of concern :540 (μg/person/day)
Structure Class :II
 
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.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 0.200001.00000
Edible ices, including sherbet and sorbet (03.0) : 0.400002.00000
Processed fruit (04.1) : 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 0.400002.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 0.200001.00000
Bakery wares (07.0) : 0.400002.00000
Meat and meat products, including poultry and game (08.0) : 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 0.100000.40000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0) : 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 0.400002.00000
Ready-to-eat savouries (15.0) : 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 0.200001.00000

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 2-propyl-1,3-thiazole
(EINECS) number :241-606-7
chemidplus :017626754
EPA Substance Registry Services :17626-75-4

references :
 2-propyl-1,3-thiazole
fl. number :15.098
NIST Chemistry WebBook :21514038
pubchem :664027

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2-propyl-1,3-thiazole
2-propylthiazole

stability :
 stable in most media

(odor and/or flavor) blends with :
 acetal
6-acetoxydihydrotheaspirane
2-acetyl-3-methyl pyrazine
(E)-aconitic acid
alpha-amyl cinnamyl formate
 asafetida oil
 basil absolute sweet
 benzothiazole
isobutyl angelate
isobutyl heptanoate
isobutyl mercaptan
isobutyl methyl ketone
isobutyl quinoline
2-sec-butyl thiazole
4-butyl thiazole
2-(2-butyl)-4,5-dimethyl-3-thiazoline
 cajuput oil vietnam
alpha-campholenic aldehyde
 chamomile oil
 cinnamyl formate
 cortex pyridine
(-)-cubenol
 cuminaldehyde
isocyclogeraniol
 cyclopentyl mercaptan
isodecyl acetate
3,5-diethyl-2-methyl pyrazine
 dihydrorose oxide
 dihydroxyacetophenone
 diisopropyl sulfide
 dill weed oil
 dill weed oil reunion
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl formate
 dimethyl disulfide
 dimethyl sulfide
4,5-dimethyl-2-ethyl-3-thiazoline
2,4-dimethyl-3-cyclohexene-1-methanol
 dipentene terpene hydrocarbon byproducts
 estragole
2-ethoxythiazole
 ethyl (E)-2-hexenoate
 ethyl 3-(furfuryl thio) propionate
 ethyl 4-pentenoate
 ethyl pyruvate
2-ethyl-4,5-dimethyl oxazole
 fig leaf absolute
 flower hexene
 furfuryl methyl sulfide
1-furfuryl pyrrole
 geranium oil africa
 geranium oil egypt
 geranium thiazole
 grapefruit menthane
 hazelnut pyrazine
(E,E)-2,4-heptadien-1-al
 heptanal
 heptanol
(E)-2-hepten-1-al
(Z)-4-hepten-1-al
 herbal cyclohexane
 herbal dioxane
 herbal heptane
(E,E)-2,4-hexadien-1-ol
 hexanal propylene glycol acetal
(E)-4-hexen-1-al
2-hexen-1-al
(E)-4-hexen-1-ol
(Z)-4-hexen-1-ol
4-hexen-1-ol
(Z)-3-hexen-1-yl (E)-crotonate
3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl lactate
(Z)-3-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl pyruvate
(Z)-3-hexen-1-yl tiglate
 hexyl hexanoate
 hop absolute
 hop oil
 ivy leaf absolute
 jalapeno oleoresin
 linalyl formate
 linalyl octanoate
 lychee mercaptan acetate
 marigold oil mexico
 melon nonenoate
3-mercapto-3-methyl butanol
3-mercaptohexyl butyrate
 mesityl oxide
 methional
 methyl 2-methyl-3-furyl disulfide
 methyl 3-(methyl thio) propionate
 methyl benzyl disulfide
 methyl furfuryl disulfide
 methyl octanoate
2-methyl thiazole
2-methyl thio-3,5 or 6-methyl pyrazine
2-(methyl thio) acetaldehyde
4-(methyl thio) butanol
3-(methyl thio) hexanol
 methyl thiomethyl butyrate
2-methyl-1,3-dithiolane
3-(5-methyl-2-furyl) butanal
2-methyl-3-(methyl thio) pyrazine
(E)-6-methyl-3-hepten-2-one
6-methyl-3-hepten-2-one
5-methyl-5-hexen-2-one
2-methyl-5-methoxythiazole
 neryl formate
2,6-nonadien-1-ol
(Z)-6-nonen-1-ol
 nonisyl formate
2,4-octadien-1-al
 octanoic acid
(E)-2-octen-1-al
2-octen-1-ol
3-octen-1-yl acetate
1-octen-3-ol
(E)-2-octenoic acid
 origanum oil
 origanum oil turkey
 parsley leaf oil egypt
4-penten-1-yl acetate
1-penten-3-ol
2-pentyl cyclopentanone
2-pentyl furan
 perillaldehyde
isophytol
 potato butanone
2-propyl pyrazine
3-propyl pyridine
2-isopropyl pyridine
 propyl thioacetate
isopropyl tiglate
2-isopropyl-3-(methyl thio) pyrazine
 propylene glycol acetone ketal
isopulegol
 radish isothiocyanate
 reseda absolute
 rose pyran
 seaweed absolute
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 tetrahydrofurfuryl alcohol
3-tetrahydrothiophenone
 theaspirane
alpha-thujene
 thyme absolute
 timber dioxolane
 treemoss absolute
 tricyclodecyl acetate
2,4,5-trimethyl oxazole
2,4,5-trimethyl thiazole
 tropical indene
 tropical thiazole
 vinyl sulfurol
 viridiflorol
 wormwood oil
 wormwood oil cuba
 wormwood oil italy
 wormwood oil poland
 yeast thiazoline

(odor and/or flavor) used in :
 coffee
 green
 herbal
 nut
 vegetable

natural occurrence in :
coffee



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