yeast thiazoline
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IUPAC name :4,5-dimethyl-2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole
InChI :InChI=1/C9H17NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6,8-9H,5H2,1-4H3
InChIKey :FDOISHJOXPONIV-UHFFFAOYAB
SMILES :CC1C(=NC(S1)CC(C)C)C
cas number :65894-83-9
(EINECS) number :265-969-6
beilstein number :0774665
fema number :3621
jecfa number :1045
fl. number :15.032
molar refractivity :51.59 ± 0.5 cm3
parachor :386.2 ± 8.0 cm3
index of refraction :1.539 ± 0.05
surface tension :30.3 ± 7.0 dyne/cm
density :1.04 ± 0.1 g/cm3
polarizability :20.45 ± 0.5 10-24cm3
XlogP : 2.50
molecular weight : 171.3029800 (IUPAC)
formula :C9 H17 N S
NMR Predictor :Predict
 
 
export tariff code :2934.10.0000
fda reg :unspecified
Suppliers :
Endeavour :4,5-Dimethyl-2-isobutyl-3-thiazoline
97%
Givaudan :4,5-Dimethyl-2-isobutyl-3-thiazoline
≥97%, NI, Kosher
Odor:  meat,vegetable,yeast
Penta :4,5-dimethyl-2-isobutyl-3-thiazoline
Sigma-Aldrich-SAFC :4,5-Dimethyl-2-isobutyl-3-thiazoline
Treatt :Isobutyl-4,5-dimethyl-3-thiazoline
Vigon :Dimethyl 2 6 Isobutyl Thiazoline
Odor:  VEGETABLE-LIKE
organoleptics :
odor type :sulfurous
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :¹
at 1.00 % in propylene glycol.  		green nut skin sulfury burnt cocoa corn
odor sample from :Sigma-Aldrich Inc.
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.93300 to 0.93700 @ 25.00 °C.
pounds per gallon - calc. : 7.763 to 7.797
refractive index :1.48300 to 1.48900 @ 20.00 °C.
boiling point : 206.00 to 208.00 °C. @ 760.00 mm Hg
flash point : 189.00  °F.  TCC  ( 87.22 °C. )
logP (o/w) : 3.95
safety :
Oral Toxicity(LD50) :
  Gavage-Mouse   [sex: M,F]  3067.00  mg/kg
(Moran et al., 1980)

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :4.00 (μg/capita/day)
 
recommendation for yeast thiazoline usage levels up to :
 not for fragrance use.
recommendation for yeast thiazoline usage levels up to :
  0.0500 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
WISER :UN 1993
 
WGK Germany :2
 
 
 
 4,5-dimethyl-2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole
(EINECS) number :265-969-6
RTECS :XJ6642800 for 65894-83-9
chemidplus :065894839
EPA Substance Registry Services :65894-83-9
references :
 4,5-dimethyl-2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole
fl. number :15.032
jecfa number :1045
NIST Chemistry WebBook :662288365
pubchem :198979
other :
reference : Luebke, William tgsc, (2007)¹
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2-isobutyl-4,5-dimethyl-3-thiazoline
2,5-dihydro-4,5-dimethyl-2-(2-methyl propyl) thiazole
2,5-dihydro-4,5-dimethyl-2-2-methyl propyl thiazole
4,5-dimethyl-2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole
4,5-dimethyl-2-isobutyl-3-thiazoline
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
2-acetyl pyrazine
2-acetyl pyridine
3-acetyl pyridine
2-acetyl thiazole
2-acetyl-2-thiazoline
2-acetyl-3-ethyl pyrazine
2-acetyl-3-methyl pyrazine
2-acetyl-3,5(or 6)-dimethyl pyrazine
2-acetyl-5-methyl pyrazine
2-acetyl-6-methyl pyrazine
 acorn acetate
 asafetida oil
 benzothiazole
isobutyl mercaptan
2-(2-butyl)-4,5-dimethyl-3-thiazoline
 cortex pyridine
 cyclopentyl mercaptan
3,5-diethyl-2-methyl pyrazine
 dihydroxyacetophenone
 diisopropyl sulfide
 dimethyl disulfide
 dimethyl sulfide
4,5-dimethyl-2-ethyl-3-thiazoline
2-ethoxythiazole
 ethyl (E)-2-hexenoate
 ethyl 3-(furfuryl thio) propionate
 ethyl dimethyl pyrazine
 ethyl pyruvate
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazoline
2-ethyl-4,5-dimethyl oxazole
 filbert pyrazine
 furfuryl methyl sulfide
1-furfuryl pyrrole
 geranium thiazole
 geranyl crotonate
 grapefruit menthane
 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 tiglate
 hexyl hexanoate
 jalapeno oleoresin
 lychee mercaptan acetate
 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 piperidine
5-methyl quinoxaline
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
5-methyl-5-hexen-2-one
2-methyl-5-methoxythiazole
2,6-nonadien-1-ol
(Z)-6-nonen-1-ol
 nutty quinoxaline
2,4-octadien-1-al
2-octen-1-ol
1-octen-3-ol
(E)-2-octenoic acid
4-penten-1-yl acetate
1-penten-3-ol
2-pentyl furan
 popcorn pyrimidine
 potato butanone
2-propionyl pyrrole
2-propionyl thiazole
2-propionyl-2-thiazoline
2-propyl pyrazine
 propyl thioacetate
isopropyl tiglate
2-isopropyl-3-(methyl thio) pyrazine
 propylene glycol acetone ketal
 radish isothiocyanate
 tetrahydrofurfuryl alcohol
3-tetrahydrothiophenone
2,4,5-trimethyl thiazole
 tropical thiazole
 vinyl sulfurol
(odor and/or flavor) used in :
 bread
 meat
 nut
 taco
 vegetable
 yeast
natural occurrence in :
found in nature



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