4-butyl thiazole
thiazole, 4-butyl-
 
Notes:
None found
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4-butyl-1,3-thiazole (Click)
CAS Number: 53833-33-3Picture of molecule
FDA UNII: 99Q60N21FJ
Nikkaji Web: J2.121.404C
XlogP3-AA: 2.70 (est)
Molecular Weight: 141.23667000
Formula: C7 H11 N S
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
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Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
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Pubchem Patents: Search
Flavis Number: 15.118 (Old)
DG SANTE Food Flavourings: 15.118  4-butylthiazole
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Physical Properties:
Appearance: pale yellow liquid to solid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 79.00 °C. @ 760.00 mm Hg
Boiling Point: 212.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.385000 mm/Hg @ 25.00 °C. (est)
Flash Point: 180.00 °F. TCC ( 82.22 °C. )
logP (o/w): 2.494 (est)
Soluble in:
 alcohol
 water, 220.9 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: green
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 green  herbal  minty  vegetable  
Odor Description:
at 0.10 % in propylene glycol. 
green herbal minty vegetable
  
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for 4-butyl thiazole usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.30 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 160 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 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 (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
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): 0.400002.00000
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
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Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 21: Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30. (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
Flavouring Group Evaluation 76, (FGE.76)[1] - Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29, miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 21, Revision 1 (FGE.21Rev1): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 Miscellaneous substances from chemical group 30
View page or View pdf
Flavouring Group Evaluation 93 (FGE.93): Consideration of sulphur heterocyclic evaluated by JECFA (68th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl evaluated by EFSA in FGE.21Rev1 (2009)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 21, Revision 2 (FGE.21Rev2): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30.
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 21, Revision 3 (FGE.21Rev3): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 21, Revision 4 (FGE.21Rev4): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 21, Revision 5 (FGE.21Rev5): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 567305
National Institute of Allergy and Infectious Diseases: Data
 4-butyl-1,3-thiazole
Chemidplus: 0053833333
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References:
 4-butyl-1,3-thiazole
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 567305
Pubchem (sid): 223369344
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
anisic
 estragoleFL/FR
 ocimum basilicum leaf oil americaFL/FR
balsamic
 cinnamyl formateFL/FR
caramellic
2-isobutyl-3-methyl pyrazineFL/FR
citrus
 ocimene quintoxideFL/FR
earthy
 geosminFL/FR
(S)-1-octen-3-olFL/FR
ethereal
 ethyl 4-pentenoateFL/FR
fatty
(E)-2-octenalFL/FR
2-octenalFL/FR
floral
 cilantro herb oil egyptFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
para-methyl benzyl acetateFL/FR
 neryl formateFL/FR
3-nonanoneFL/FR
isophytolFL/FR
 prenyl salicylateFL/FR
fruity
3-benzyl-4-heptanoneFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
green
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
2-sec-butyl thiazoleFL/FR
S-sec-butyl thioisovalerateFL/FR
 heptanal (aldehyde C-7)FL/FR
1-heptanolFL/FR
 heptyl benzoateFL/FR
(Z)-4-hexen-1-olFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl hexanoateFL/FR
 marigold pot absoluteFL/FR
6-methyl-3-hepten-2-oneFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
 terpinyl propionateFL/FR
6-acetoxydihydrotheaspiraneFL/FR
alpha-amyl cinnamyl formateFL/FR
 anethum graveolens herb oilFL/FR
 anethum graveolens herb tinctureFL/FR
 anthemis nobilis flower extractFL/FR
 anthemis nobilis flower oil romanFL/FR
 apium graveolens seed oilFL/FR
 apium graveolens seed oil indiaFL/FR
sweet basil absoluteFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 coriander oleoresinFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
 marigold oil mexicoFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
para-menthane-3,8-diolFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
1-octen-3-yl acetateFL/FR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 perilla leaf oilFL/FR
 perillaldehydeFL/FR
 petroselinum crispum seed oil CO2 extractFL/FR
 piperitoneFL/FR
 prenyl senecioateFL/FR
 rosemary oil africaFL/FR
 rosemary oil tunisiaFL/FR
 rosmarinus officinalis extractFL/FR
 rosmarinus officinalis tinctureFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 theaspiraneFL/FR
 thyme absoluteFL/FR
 viridiflorolFL/FR
 wormwood oil americaFL/FR
 wormwood oil italyFL/FR
 wormwood oil polandFL/FR
licorice
sweet basil oleoresinFL/FR
mentholic
 cornmint oil indiaFL/FR
laevo-menthyl acetateFL/FR
minty
 agathosma crenulata oilFL/FR
 betula lenta bark oil americaFL/FR
laevo-carvoneFL/FR
(+)-dihydrocarvoneFL/FR
(-)-menthoneFL/FR
homomenthyl acetateFL/FR
 pennyroyal herb oil americaFL/FR
 pennyroyal oil fractionsFL/FR
(-)-isopulegolFL/FR
 tetrahydrocarvoneFL/FR
isobutyl angelateFL/FR
(-)-cubenolFL/FR
 cuminaldehydeFL/FR
 origanum majorana oilFL/FR
woody
 cinnamyl tiglateFL/FR
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
 
For Flavor
 
No flavor group found for these
6-acetoxydihydrotheaspiraneFL/FR
4-acetyl-2-isopropenyl pyridineFL
alpha-amyl cinnamyl formateFL/FR
isobutyl heptanoateFL/FR
2-sec-butyl thiazoleFL/FR
S-sec-butyl thioisovalerateFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 cinnamyl tiglateFL/FR
(+)-dihydrocarvoneFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
 ethyl 4-pentenoateFL/FR
 fig leaf absoluteFL
 geosminFL/FR
 heptanal (aldehyde C-7)FL/FR
 heptyl benzoateFL/FR
(E,E)-2,4-hexadien-1-olFL
 linalyl formateFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
para-menthane-3,8-diolFL/FR
para-methyl benzyl acetateFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
6-methyl-3-hepten-2-oneFL/FR
3-nonanoneFL/FR
(S)-1-octen-3-olFL/FR
2-octenalFL/FR
3-octyl butyrateFL
 perilla leaf oilFL/FR
 piperitoneFL/FR
 prenyl senecioateFL/FR
2-propyl thiazoleFL
(-)-isopulegolFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
ortho-vinyl anisoleFL
 viridiflorolFL/FR
buttery
 bovolideFL
camphoreous
 rosemary oil tunisiaFL/FR
cooling
homomenthyl acetateFL/FR
 theaspiraneFL/FR
fatty
(E)-2-octenalFL/FR
floral
 dimethyl benzyl carbinyl butyrateFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
fruity
3-benzyl-4-heptanoneFL/FR
 hexyl hexanoateFL/FR
 linalyl octanoateFL/FR
 neryl formateFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
green
 anethum graveolens herb tinctureFL/FR
isobutyl angelateFL/FR
isobutyl methyl ketoneFL/FR
2-isobutyl-3-methyl pyrazineFL/FR
 celery distillatesFL
 coriander oleoresinFL/FR
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
(Z)-4-hexen-1-olFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 marigold pot absoluteFL/FR
 ocimene quintoxideFL/FR
1-octen-3-yl acetateFL/FR
 terpinyl propionateFL/FR
herbal
2-acetoxy-1,8-cineoleFL
 anethum graveolens herb oilFL/FR
 anthemis nobilis flower extractFL/FR
 anthemis nobilis flower oil romanFL/FR
 apium graveolens seed oilFL/FR
 apium graveolens seed oil indiaFL/FR
sweet basil absoluteFL/FR
 celery seed oleoresinFL
 cilantro herb oil egyptFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 marigold oil mexicoFL/FR
 ocimum basilicum leaf oil americaFL/FR
 origanum majorana oilFL/FR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 petroselinum crispum seed oil CO2 extractFL/FR
 prenyl salicylateFL/FR
 rosemary oil africaFL/FR
 rosmarinus officinalis extractFL/FR
 rosmarinus officinalis tinctureFL/FR
 thyme absoluteFL/FR
 wormwood oil americaFL/FR
 wormwood oil italyFL/FR
 wormwood oil polandFL/FR
licorice
sweet basil oleoresinFL/FR
 estragoleFL/FR
minty
 agathosma crenulata oilFL/FR
 betula lenta bark oil americaFL/FR
laevo-carvoneFL/FR
 cornmint oil indiaFL/FR
(-)-menthoneFL/FR
laevo-menthyl acetateFL/FR
 pennyroyal herb oil americaFL/FR
 pennyroyal oil fractionsFL/FR
 tetrahydrocarvoneFL/FR
oily
isophytolFL/FR
solvent
1-heptanolFL/FR
spicy
 cinnamyl formateFL/FR
(-)-cubenolFL/FR
 cuminaldehydeFL/FR
 perillaldehydeFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 coffee
Search  Picture
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Synonyms:
4-butyl-1,3-thiazole
4-butylthiazole
 thiazole, 4-butyl-
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Articles:
PubMed: Characterization of urinary volatiles in Swiss male mice (Mus musculus): bioassay of identified compounds.
PubMed: Determination of low plasma timolol concentrations following topical application of timolol eye drops in humans by high-performance liquid chromatography with electrochemical detection.
PubMed: Phenylbutazone peroxidatic metabolism and conjugation.
PubMed: Possible role of thioformamide as a proximate toxicant in the nephrotoxicity of thiabendazole and related thiazoles in glutathione-depleted mice: structure-toxicity and metabolic studies.
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