4-butyl thiazole
 
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IUPAC name :4-butyl-1,3-thiazole
InChI :InChI=1/C7H11NS/c1-2-3-4-7-5-9-6-8-7/h5-6H,2-4H2,1H3
InChIKey :FXVDDYOQIPLCAV-UHFFFAOYAB
SMILES :CCCCC1=CSC=N1
cas number :53833-33-3
fl. number :15.118
molar refractivity :41.54 ± 0.3 cm3
parachor :340.7 ± 4.0 cm3
index of refraction :1.514 ± 0.02
surface tension :37.2 ± 3.0 dyne/cm
density :1.023 ± 0.06 g/cm3
polarizability :16.46 ± 0.5 10-24cm3
xlogp : 2.50
molecular weight : 141.2339400
formula :C7 H11 N S
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

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

properties :
appearence :pale yellow clear liquid
assay : 94.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 200.00 - 203.00 °C. @ 760.00 mm Hg
logp : 2.49

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :1.30 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :150 (μg/person/day)
Threshold of concern :540 (μg/person/day)
  
flash point ( Deg. F. ) : 180.00  °F.  TCC  ( 82.22 °C. )
  
recommendation for 4-butyl 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.
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) : --
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 links :
chemidplus :53833-33-3
epa-srs :53833-33-3
  

other :
 

references :
fl. number :15.118
pubchem :10379210
  
synonyms :
4-butyl thiazole
4-butyl-1,3-thiazole
4-butylthiazole
soluble in :
 alcohol
insoluble in :
 water
stability :
(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
alpha-amyl cinnamyl formate
 basil absolute sweet
isobutyl angelate
isobutyl heptanoate
isobutyl methyl ketone
isobutyl quinoline
2-sec-butyl thiazole
 cajuput oil vietnam
alpha-campholenic aldehyde
 chamomile oil
 cinnamyl formate
(-)-cubenol
 cuminaldehyde
isocyclogeraniol
 dihydrorose oxide
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl formate
2,4-dimethyl-3-cyclohexene-1-methanol
 dipentene terpene hydrocarbon byproducts
 ethyl 4-pentenoate
 geranium oil africa
 geranium oil egypt
 heptanal
 heptanol
 herbal cyclohexane
 herbal dioxane
 herbal heptane
(E,E)-2,4-hexadien-1-ol
(E)-4-hexen-1-ol
(Z)-4-hexen-1-ol
3-hexen-1-yl 2-methyl butyrate
 hexyl hexanoate
 hop absolute
 hop oil
 ivy leaf absolute
 linalyl formate
 linalyl octanoate
(E)-6-methyl-3-hepten-2-one
 neryl formate
 nonisyl formate
(E)-2-octen-1-al
3-octen-1-yl acetate
2-pentyl cyclopentanone
 perillaldehyde
isophytol
2-propyl thiazole
isopulegol
 reseda absolute
 rose pyran
 seaweed absolute
 theaspirane
alpha-thujene
 thyme absolute
 timber dioxolane
 tricyclodecyl acetate
 tropical indene
 viridiflorol
 wormwood oil
natural occurrence in :
coffee



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