2-isobutyl thiazole
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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
cas number :18640-74-9
(EINECS) number :242-470-1
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
XlogP3-AA : 2.60
molecular weight : 141.2339400 (IUPAC)
formula :C7 H11 N S
BioActivity Analysis :145113
NMR Predictor :Predict
 
 
export tariff code :2934.10.0000
fda reg :172.515
Suppliers :
Advanced Biotech :2-isobutyl thiazole
99% min. natural
Odor:  Tomato leaf
Advanced Biotech :2-isobutyl thiazole
1% min. (in WS) natural
Odor:  Tomato leaf
Endeavour :2-Isobutylthiazole
97%
Fontarome :2-ISOBUTYLTHIAZOLE
Odor:  Tomato-like
Frutarom :2-ISOBUTYLTHIAZOLE
≥99.00%, NI, Kosher
Odor:  Fresh, Green, Tomato, Vinous
Givaudan :2-Isobutylthiazole
≥98%, NI, Kosher
Odor:  Green,Tomato Leaf
John D. Walsh :Thiazyl 1% in DPG
Penta :2-isobutyl thiazole
PFW :THIAZYL 1% IN DPG™
Odor:  has a dry green woody odour, reminiscent of 'eau de brouts' and petitgrain.
Sigma-Aldrich-SAFC :2-Isobutylthiazole
≥99%, Kosher, FG
Odor:  green; vegetable
SRS Aromatics :THIAZYL 1% DPG
Treatt :2-Isobutylthiazole
Vigon :Isobutyl-2 Thiazole
Odor:  GREEN, NUTTY ODOR.
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
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99500 to 1.00400 @ 20.00 °C.
pounds per gallon - calc. : 8.289 to 8.364
refractive index :1.49100 to 1.49900 @ 20.00 °C.
boiling point : 174.00 to 180.00 °C. @ 760.00 mm Hg
vapor density :4.8 ( Air = 1 )
flash point : 135.00  °F.  TCC  ( 57.22 °C. )
logP (o/w) : 2.51
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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 36/37/39 - Wear suitable clothing, 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) :3.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.40 (μg/capita/day)
 
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 references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :3
 
 
 
 2-(2-methylpropyl)-1,3-thiazole
(EINECS) number :242-470-1
chemidplus :018640749
EPA Substance Registry Services :18640-74-9
dtp/nci :290430
references :
 2-(2-methylpropyl)-1,3-thiazole
fl. number :15.013
jecfa number :1034
NIST Chemistry WebBook :1726968175
pubchem :204636
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-isobutyl-1,3-thiazole
2-(2-methyl propyl) thiazole
2-(2-methylpropyl)-1,3-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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