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4-butyl thiazole
thiazole, 4-butyl-

Sponsors

Name:4-butyl-1,3-thiazole
CAS Number: 53833-33-3Picture of molecule3D/inchi
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
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
FLAVIS Number:15.118 (Old)
DG SANTE Food Flavourings:15.118 4-butylthiazole
 
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
 
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
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
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
 
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
 
References:
 4-butyl-1,3-thiazole
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):567305
Pubchem (sid):223369344
 
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
 
Potential Blenders and core components note
For Odor
anisic
estragole
FL/FR
ocimum basilicum leaf oil america
FL/FR
balsamic
cinnamyl formate
FL/FR
caramellic
2-iso
butyl-3-methyl pyrazine
FL/FR
citrus
ocimene quintoxide
FL/FR
earthy
geosmin
FL/FR
(S)-1-
octen-3-ol
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
fatty
(E)-2-
octenal
FL/FR
2-
octenal
FL/FR
floral
cilantro herb oil egypt
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geranium oil africa
FL/FR
geranium oil egypt
FL/FR
para-
methyl benzyl acetate
FL/FR
neryl formate
FL/FR
3-
nonanone
FL/FR
iso
phytol
FL/FR
prenyl salicylate
FL/FR
fruity
3-
benzyl-4-heptanone
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
green
iso
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
2-sec-
butyl thiazole
FL/FR
S-sec-
butyl thioisovalerate
FL/FR
heptanal (aldehyde C-7)
FL/FR
1-
heptanol
FL/FR
heptyl benzoate
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl hexanoate
FL/FR
marigold pot absolute
FL/FR
6-
methyl-3-hepten-2-one
FL/FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
terpinyl propionate
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
anethum graveolens herb oil
FL/FR
anethum graveolens herb tincture
FL/FR
anthemis nobilis flower extract
FL/FR
anthemis nobilis flower oil roman
FL/FR
apium graveolens seed oil
FL/FR
apium graveolens seed oil india
FL/FR
sweet
basil absolute
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
coriander oleoresin
FL/FR
dill weed oil cuba
FL/FR
dill weed oil reunion
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
linalyl formate
FL/FR
linalyl octanoate
FL/FR
marigold oil mexico
FL/FR
melaleuca leucadendron var. cajuputi leaf oil
FL/FR
para-
menthane-3,8-diol
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
1-
octen-3-yl acetate
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
perilla leaf oil
FL/FR
perillaldehyde
FL/FR
petroselinum crispum seed oil CO2 extract
FL/FR
piperitone
FL/FR
prenyl senecioate
FL/FR
rosemary oil africa
FL/FR
rosemary oil tunisia
FL/FR
rosmarinus officinalis extract
FL/FR
rosmarinus officinalis tincture
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
theaspirane
FL/FR
thyme absolute
FL/FR
viridiflorol
FL/FR
wormwood oil america
FL/FR
wormwood oil italy
FL/FR
wormwood oil poland
FL/FR
licorice
sweet
basil oleoresin
FL/FR
mentholic
cornmint oil india
FL/FR
laevo-
menthyl acetate
FL/FR
minty
agathosma crenulata leaf oil
FL/FR
betula lenta bark oil america
FL/FR
laevo-
carvone
FL/FR
(+)-
dihydrocarvone
FL/FR
(-)-
menthone
FL/FR
homo
menthyl acetate
FL/FR
pennyroyal herb oil america
FL/FR
pennyroyal oil fractions
FL/FR
(-)-iso
pulegol
FL/FR
tetrahydrocarvone
FL/FR
spicy
iso
butyl angelate
FL/FR
(-)-
cubenol
FL/FR
cuminaldehyde
FL/FR
origanum majorana oil
FL/FR
woody
cinnamyl tiglate
FL/FR
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
4-
acetyl-2-isopropenyl pyridine
FL
alpha-
amyl cinnamyl formate
FL/FR
iso
butyl heptanoate
FL/FR
2-sec-
butyl thiazole
FL/FR
S-sec-
butyl thioisovalerate
FL/FR
cinnamyl tiglate
FL/FR
(+)-
dihydrocarvone
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
ethyl 4-pentenoate
FL/FR
fig leaf absolute
FL
heptyl benzoate
FL/FR
(E,E)-2,4-
hexadien-1-ol
FL
linalyl formate
FL/FR
melaleuca leucadendron var. cajuputi leaf oil
FL/FR
para-
menthane-3,8-diol
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
6-
methyl-3-hepten-2-one
FL/FR
(S)-1-
octen-3-ol
FL/FR
2-
octenal
FL/FR
3-
octyl butyrate
FL
perilla leaf oil
FL/FR
prenyl senecioate
FL/FR
2-
propyl thiazole
FL
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
ortho-
vinyl anisole
FL
viridiflorol
FL/FR
buttery
buttery
bovolide
FL
camphoreous
rosemary oil tunisia
FL/FR
cooling
homo
menthyl acetate
FL/FR
theaspirane
FL/FR
earthy
geosmin
FL/FR
fatty
(E)-2-
octenal
FL/FR
floral
dimethyl benzyl carbinyl butyrate
FL/FR
geranium oil africa
FL/FR
geranium oil egypt
FL/FR
fruity
3-
benzyl-4-heptanone
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
hexyl hexanoate
FL/FR
linalyl octanoate
FL/FR
para-
methyl benzyl acetate
FL/FR
neryl formate
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
green
anethum graveolens herb tincture
FL/FR
iso
butyl angelate
FL/FR
iso
butyl methyl ketone
FL/FR
2-iso
butyl-3-methyl pyrazine
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
celery distillates
FL
coriander oleoresin
FL/FR
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
marigold pot absolute
FL/FR
3-
nonanone
FL/FR
ocimene quintoxide
FL/FR
1-
octen-3-yl acetate
FL/FR
terpinyl propionate
FL/FR
herbal
2-
acetoxy-1,8-cineole
FL
anethum graveolens herb oil
FL/FR
anthemis nobilis flower extract
FL/FR
anthemis nobilis flower oil roman
FL/FR
apium graveolens seed oil
FL/FR
apium graveolens seed oil india
FL/FR
sweet
basil absolute
FL/FR
celery seed oleoresin
FL
cilantro herb oil egypt
FL/FR
dill weed oil cuba
FL/FR
dill weed oil reunion
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
marigold oil mexico
FL/FR
ocimum basilicum leaf oil america
FL/FR
origanum majorana oil
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
petroselinum crispum seed oil CO2 extract
FL/FR
prenyl salicylate
FL/FR
rosemary oil africa
FL/FR
rosmarinus officinalis extract
FL/FR
rosmarinus officinalis tincture
FL/FR
thyme absolute
FL/FR
wormwood oil america
FL/FR
wormwood oil italy
FL/FR
wormwood oil poland
FL/FR
licorice
sweet
basil oleoresin
FL/FR
estragole
FL/FR
minty
agathosma crenulata leaf oil
FL/FR
betula lenta bark oil america
FL/FR
laevo-
carvone
FL/FR
cornmint oil india
FL/FR
(-)-
menthone
FL/FR
laevo-
menthyl acetate
FL/FR
pennyroyal herb oil america
FL/FR
pennyroyal oil fractions
FL/FR
piperitone
FL/FR
(-)-iso
pulegol
FL/FR
tetrahydrocarvone
FL/FR
oily
iso
phytol
FL/FR
solvent
1-
heptanol
FL/FR
spicy
cinnamyl formate
FL/FR
(-)-
cubenol
FL/FR
cuminaldehyde
FL/FR
perillaldehyde
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 
Synonyms:
4-butyl-1,3-thiazole
4-butylthiazole
 thiazole, 4-butyl-
 

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.
 
Notes:
None found
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