2-methyl-5-methoxythiazole
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IUPAC name :5-methoxy-2-methyl-1,3-thiazole
InChI :InChI=1/C5H7NOS/c1-4-6-3-5(7-2)8-4/h3H,1-2H3
InChIKey :KNHWRHAKUZHDQP-UHFFFAOYAJ
SMILES :CC1=NC=C(S1)OC
cas number :38205-64-0
beilstein number :1209888
fema number :3192
coe number :736
jecfa number :1057
fl. number :15.002
molar refractivity :34.23 ± 0.3 cm3
parachor :278.8 ± 4.0 cm3
index of refraction :1.521 ± 0.02
surface tension :37.8 ± 3.0 dyne/cm
density :1.149 ± 0.06 g/cm3
polarizability :13.57 ± 0.5 10-24cm3
XlogP : 0.40
molecular weight : 129.1801800
formula :C5 H7 N O S
NMR Predictor :Predict
 
 
export tariff code :2934.10.0000
fda reg :unspecified

organoleptics :
odor type :sulfurous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
green cabbage vegetable sulfury

properties :
appearence :yellow amber clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.14600 to 1.15400 @ 25.00 °C.
pounds per gallon - calc. : 9.536 to 9.602
refractive index :1.51500 to 1.52000 @ 20.00 °C.
boiling point : 117.00 °C. @ 34.00 mm Hg
flash point : 147.00  °F.  TCC  ( 63.89 °C. )
logP (o/w) : 1.02

safety :
Oral Toxicity(LD50) :
  Oral-Rat    1250.00  mg/kg
(Posternak et al., 1975)

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.01 (μg/capita/day)
 
recommendation for 2-methyl-5-methoxythiazole usage levels up to :
 not for fragrance use.
recommendation for 2-methyl-5-methoxythiazole usage levels up to :
  4.0000 ppm in the flavor.

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
 
 
 
 5-methoxy-2-methyl-1,3-thiazole
chemidplus :038205640
EPA Substance Registry Services :38205-64-0

references :
 5-methoxy-2-methyl-1,3-thiazole
fl. number :15.002
jecfa number :1057
pubchem :198413

other :
synonyms :
5-methoxy-2-methyl thiazole
5-methoxy-2-methyl-1,3-thiazole

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 butyl isothiocyanate
 cassis pentanone
 coffee difuran
 dihydroxyacetophenone
 dimethyl disulfide
 dimethyl sulfide
 dipropyl trisulfide
 ethyl methyl sulfide
2-ethyl-4,5-dimethyl oxazole
 galbanum oxathiane
 grapefruit menthane
(E)-2-hepten-1-al
(Z)-4-hepten-1-al
(E)-4-hexen-1-al
4-hexen-1-ol
(Z)-3-hexen-1-yl (E)-crotonate
 lychee mercaptan acetate
 mango thiol
 mercaptoacetaldehyde
 methionyl butyrate
 methyl 4-(methyl thio) butyrate
 methyl benzyl disulfide
 methyl mercaptan
S-methyl methioninium chloride
2-methyl thiazole
4-(methyl thio) butanol
S-(methyl thio) butyrate
3-(methyl thio) hexanol
bis(methyl thio) methane
2-(methyl thio) methyl-2-butenal
4-methyl thiobutyl isothiocyanate
5-methyl thiopentyl isothiocyanate
3-(5-methyl-2-furyl) butanal
(Z)-6-nonen-1-ol
2,4-octadien-1-al
2-octen-1-ol
1-penten-3-ol
isopropyl disulfide
 propyl mercaptan
2-propyl pyrazine
 propyl thioacetate
isopropyl tiglate
2-isopropyl-3-(methyl thio) pyrazine
 propylene glycol acetone ketal
 pyrazinyl ethane thiol
 tetrahydrothiophene
3-tetrahydrothiophenone
S-tropical 2-thiobutyrate
 tropical thiazole

(odor and/or flavor) used in :
 cabbage
 green
 vegetable

natural occurrence in :
not found in nature



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