2-isobutyl thiazole
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-(2-methylpropyl)-1,3-thiazole
InChI :InChI=1/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3
InChIKey :CMPVUVUNJQERIT-UHFFFAOYAI
SMILES :CC(C)CC1=NC=CS1
(EINECS) number :242-470-1
cas number :18640-74-9
fema number :3134
coe number :11618
jecfa number :1034
fl. number :15.013
molar refractivity :41.50 ± 0.3 cm3
parachor :338.1 ± 4.0 cm3
index of refraction :1.511 ± 0.02
surface tension :35.6 ± 3.0 dyne/cm
density :1.020 ± 0.06 g/cm3
polarizability :16.45 ± 0.5 10-24cm3
xlogp : 1.80
molecular weight : 141.2339400
formula :C7 H11 N S
BioActivity Analysis :145113
 
 
fda reg :172.515 h. number :2934.10.0000
organoleptics : 
odor type :green
odor strength :very high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
green tomato leaf vine-like
taste description³ :at 2.00 ppm.  
Green, vegetable, tomato-like with raw musty nuances
properties : 
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99500 - 1.00400 @ 20.00 °C.
pounds per gallon - calc. : 8.289 to 8.364
refractive index :1.49100 - 1.49900 @ 20.00 °C.
boiling point : 172.00 - 180.00 °C. @ 760.00 mm Hg
logp : 2.51
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 135.00  °F.  TCC  ( 57.22 °C. )
  
recommendation for 2-isobutyl thiazole usage levels up to :
  0.0500 % in the fragrance concentrate.
  
recommendation for 2-isobutyl thiazole usage levels up to :
  2.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :242-470-1
chemidplus :018640749
epa-srs :18640-74-9
dtp/nci :290430
  
other : 
 
references : 
jecfa number :1034
fl. number :15.013
pubchem :204636
NIST Chemistry WebBook :1726968175
  
reference : Mosciano, Gerard P&F 17, No. 4, 33, (1992)³
synonyms :
2-isobutyl thiazole
2-isobutyl-1,3-thiazole
2-(2-methyl propyl) thiazole
 thiazyl
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
stability :
 stable in most media
(odor and/or flavor) blends with :
 acetaldehyde butyl phenethyl acetal
 acetaldehyde di-(Z)-3-hexen-1-yl acetal
 acetaldehyde ethyl phenethyl acetal
 allyl anthranilate
 amber furan
 basil absolute sweet
 chamomile oil
 cumin acetaldehyde
neocyclocitral
2,5-dihydroxy-1,4-dithiane
 dimethyl sulfide
 diphenyl oxide
 ethyl methyl mercaptopropionate
 ethyl methyl sulfide
 galbanum oil terpeneless
 galbanum oleoresin
 geranium absolute
 geranium thiazole
1-hepten-3-ol
 heptyl cinnamate
 herbal heptane
(E)-2-hexen-1-al
2-hexen-1-al
3-hexen-1-al
(E)-2-hexen-1-ol
(E)-4-hexen-1-ol
(Z)-2-hexen-1-ol
(Z)-4-hexen-1-ol
2-hexen-1-ol
3-hexen-1-ol
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl lactate
(Z)-3-hexen-1-yl methyl carbonate
 hexoxyacetaldehyde dimethyl acetal
 hexyl acetate
 hexyl heptanoate
 leaf acetal
 leafy acetal
 leafy oxime
 methional
 methyl 3-(methyl thio) propionate
 methyl dihydrojasmonate
 methyl heptine carbonate
 methyl ionones
S-methyl methioninium chloride
 methyl propyl disulfide
 methyl thiol isovalerate
3-methyl-3-pentanol
 narcissus absolute
(E,Z)-2,6-nonadien-1-yl acetate
 octanal dimethyl acetal
(E)-2-octen-1-al
(Z)-2-octen-1-al
(Z)-5-octen-1-yl propionate
 orangeflower absolute
(E)-2-penten-1-al
 petitgrain combava oil
 phenoxyacetaldehyde 50% in benzyl alcohol
3-phenyl propionaldehyde
 plectranthus glandulosus hook f. leaf oil cameroon
 potato butanone
isopropyl phenyl propionaldehyde
isopulegyl formate
 rose absolute
 rose leaf absolute
laevo-rose oxide
 rosemary oleoresin
 styralyl acetate
 tetrahydrofurfuryl cinnamate
gamma-undecalactone
(odor and/or flavor) used in :
 apricot
 earth humus
 floral
 green
 leaf
 mushroom
 musk
 peach
 tomato
 tomato leaf
 vegetable
 vine
natural occurrence in :
tomato



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