2-methyl thiazole
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IUPAC name :2-methyl-1,3-thiazole
InChI :InChI=1/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3
InChIKey :VZWOXDYRBDIHMA-UHFFFAOYAX
SMILES :CC1=NC=CS1
cas number :3581-87-1
(EINECS) number :222-702-8
coe number :11626
fl. number :15.089
molar refractivity :27.55 ± 0.3 cm3
parachor :222.2 ± 4.0 cm3
index of refraction :1.535 ± 0.02
surface tension :39.9 ± 3.0 dyne/cm
density :1.121 ± 0.06 g/cm3
polarizability :10.92 ± 0.5 10-24cm3
XlogP : 0.50
molecular weight : 99.1542000 (IUPAC)
formula :C4 H5 N S
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Penta :2-methylthiazole

organoleptics :
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
green vegetable

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.10900 to 1.11600 @ 25.00 °C.
pounds per gallon - calc. : 9.228 to 9.286
refractive index :1.51100 to 1.51700 @ 20.00 °C.
boiling point : 128.00 to 129.00 °C. @ 760.00 mm Hg
flash point : 84.00  °F.  TCC  ( 28.89 °C. )
logP (o/w) : 1.54

safety :
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) :0.018 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :150 (μg/person/day)
Threshold of concern :540 (μg/person/day)
Structure Class :II
 
recommendation for 2-methyl 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) : 0.200001.00000
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
 
 
 
 2-methyl-1,3-thiazole
(EINECS) number :222-702-8
chemidplus :003581871
EPA Substance Registry Services :3581-87-1

references :
 2-methyl-1,3-thiazole
fl. number :15.089
NIST Chemistry WebBook :3511132302
pubchem :654198

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2-methyl-1,3-thiazole
2-methylthiazole

soluble in :
 alcohol
 water, slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 acetal
2-acetyl-3-methyl pyrazine
(E)-aconitic acid
isoamyl 3-(2-furan) propionate
 amyl benzoate
 anisyl propanal / methyl anthranilate schiff's base
 asafetida oil
 benzothiazole
 benzyl methyl ether
isobutyl benzyl carbinol
alpha-butyl cinnamaldehyde
isobutyl mercaptan
2-(2-butyl)-4,5-dimethyl-3-thiazoline
 chrysanthemum oxide
 cinnamyl formate
 citral dimethyl acetal
 citronellyl acetate
 citronellyl propionate
 clary sage absolute
 cortex pyridine
 cumin carbinol
 cuminyl acetaldehyde
 cyclopentyl mercaptan
 decanal propylene glycol acetal
3-decanone
(E)-4-decen-1-al
2-decen-1-al
3,5-diethyl-2-methyl pyrazine
 dihydroxyacetophenone
 diisopropyl sulfide
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dimethyl disulfide
 dimethyl succinate
 dimethyl sulfide
4,5-dimethyl-2-ethyl-3-thiazoline
6,8-dimethyl-2-nonanol
 earthy acetal
2-ethoxythiazole
 ethyl (E)-2-hexenoate
 ethyl 2-benzyl butyrate
 ethyl 3-(furfuryl thio) propionate
 ethyl methyl-para-tolyl glycidate
2-ethyl octine carbonate
 ethyl pyruvate
2-ethyl-4,5-dimethyl oxazole
 farnesyl acetate
 floral butanal
 flower hexene
 furfuryl methyl sulfide
1-furfuryl pyrrole
 geranium oil
 geranium thiazole
 geranyl acetone
 geranyl isobutyrate
 grapefruit menthane
 grapefruit pentanol
 hazelnut pyrazine
(E,E)-2,4-heptadien-1-al
(E)-2-hepten-1-al
(Z)-4-hepten-1-al
 hexanal propylene glycol acetal
(E)-4-hexen-1-al
2-hexen-1-al
4-hexen-1-ol
(Z)-3-hexen-1-yl (E)-crotonate
(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 salicylate
(Z)-3-hexen-1-yl tiglate
alpha-hexyl cinnamaldehyde
 hexyl hexanoate
 hydroxycitronellal diethyl acetal
 ivy carbaldehyde / methyl anthranilate schiff's base
 ivy dioxolane
 jalapeno oleoresin
 jasmin cyclopentanol
 jonquil absolute
 lychee mercaptan acetate
 marine hexane
 melon nonenoate
3-mercapto-3-methyl butanol
3-mercaptohexyl butyrate
 mesityl oxide
 methional
 methyl 2-methyl-3-furyl disulfide
 methyl 2-undecynoate
 methyl 3-(methyl thio) propionate
 methyl benzyl disulfide
 methyl cyclocitrone
 methyl furfuryl disulfide
para-methyl hydratropaldehyde
 methyl octanoate
 methyl octine carbonate
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
4-methyl-4-phenyl pentanone
5-methyl-5-hexen-2-one
2-methyl-5-methoxythiazole
 mimosa absolute
 muguet undecadienal
 neroli oil
 nerolidol
2,6-nonadien-1-ol
(Z)-6-nonen-1-ol
 ocean propanal / methyl anthranilate schiff's base
2,4-octadien-1-al
 octanal dimethyl acetal
 octanoic acid
2-octen-1-ol
1-octen-3-ol
(E)-2-octenoic acid
 octyl oxyacetaldehyde
 orange leaf absolute
 papaya isobutyrate
 peach pivalate
4-penten-1-yl acetate
1-penten-3-ol
2-pentyl furan
 phenyl acetaldehyde
 phenyl acetaldehyde diisobutyl acetal
2-phenyl propionaldehyde ethylene glycol acetal
 potato butanone
2-propyl pyrazine
 propyl thioacetate
isopropyl tiglate
2-isopropyl-3-(methyl thio) pyrazine
 propylene glycol acetone ketal
 radish isothiocyanate
 rose butanoate
 styralyl formate
 terpinyl isobutyrate
 tetrahydrofurfuryl alcohol
3-tetrahydrothiophenone
 tricyclodecenyl acetate
2,4,5-trimethyl oxazole
2,4,5-trimethyl thiazole
 tropical thiazole
 vinyl sulfurol
 yeast thiazoline

natural occurrence in :
chicken roasted chicken - trace amount



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