2-sec-butyl thiazole
2-sec-butylthiazole
 
Notes:
Used as a food additive [EAFUS]
  • Endeavour Specialty Chemicals
    • Endeavour Specialty Chemicals Ltd
      Expertise in Small to Medium Scale Chemical Manufacturing
      Endeavour Speciality Chemicals offers high-impact aroma chemicals, all produced at the highest standards of quality.
      Endeavour Speciality Chemical has 25 years' experience of manufacturing high-impact aroma chemicals. With our core expertise in sulfur and heterocyclic chemistries, Endeavour's products have applications in a range of industry sectors including flavours and fragrances, pharmaceutical research and material sciences. Endeavour also offer custom synthesis and contract manufacturing services at their UK manufacturing site.
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      Product(s):
      TZ0090 2-sec-Butylthiazole 98% F&F
       
  • Frutarom
    • Frutarom Ltd
      Discover Our Passion
      Your preferred partner for flavour and fragrance success.
      At Frutarom, we take pride in our expertise and knowledge of Flavour & Fragrance Ingredients and our thorough understanding of the needs of Flavourists, Perfumers and Food Technologists. Working closely with our customers we have a strong track record of providing unique solutions to fulfil requirements.
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      Product(s):
      B1205-0 2-sec-BUTYL THIAZOLE
       
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    • Penta International Corporation
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      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      13-67125 2-(1-METHYLPROPYL)THIAZOLE, Kosher
       
  • Pyrazine Specialties
  • Robinson Brothers
  • Treatt
    • Treatt PLC
      Innovative ingredient solutions
      World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.
      We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products.
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      News
      Product(s):
      2-sec-Butyl thiazole NI, Kosher

      Used 0.005-0.5ppm, in fruit flavours to add a green-unripe note, as well as vegetable flavours, savoury flavours and condiments. Similar to 2-Isobutylthiazole, it is effective in enhancing tomato based products.
       
       
Synonyms   Articles   Notes   Search
2-butan-2-yl-1,3-thiazole (Click)
CAS Number: 18277-27-5Picture of molecule
ECHA EINECS - REACH Pre-Reg: 242-154-3
FDA UNII: 55W190Y3Q7
Nikkaji Web: J266.092J
MDL: MFCD00051951
CoE Number: 11598
XlogP3-AA: 2.50 (est)
Molecular Weight: 141.23667000
Formula: C7 H11 N S
NMR Predictor: Predict (works with chrome or firefox)
2-[(2R)-butan-2-yl]-1,3-thiazole (Click)
CAS Number: 18277-27-5  (R)Picture of molecule
Nikkaji Web: J1.207.815C
XlogP3-AA: 2.50 (est)
Molecular Weight: 141.23667000
Formula: C7 H11 N S
NMR Predictor: Predict (works with chrome or firefox)
2-[(2S)-butan-2-yl]-1,3-thiazole (Click)
CAS Number: 18277-27-5  (S)Picture of molecule
XlogP3-AA: 2.50 (est)
Molecular Weight: 141.23667000
Formula: C7 H11 N S
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: JECFA evaluated 2-(1-methylpropyl)thiazole (CASrn as in Register). (R)- or (S)- enantiomer not specified by CASrn in Register. Racemate (EFFA, 2013b).
Category: flavor and fragrance 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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1033  2-(1-methylpropyl)thiazole
Flavis Number: 15.022 (Old)
DG SANTE Food Flavourings: 15.022  2-(sec-butyl)thiazole
FEMA Number: 3372  2-sec-butylthiazole
FDA Mainterm: 2-(1-METHYLPROPYL)THIAZOLE
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.00100 @  25.00 °C.
Refractive Index: 1.49500 @  20.00 °C.
Boiling Point: 174.00 to  175.00 °C. @ 760.00 mm Hg
Vapor Pressure: 1.473000 mm/Hg @ 25.00 °C. (est)
Flash Point: 139.00 °F. TCC ( 59.44 °C. )
logP (o/w): 1.715 (est)
Soluble in:
 alcohol
 water, 255.2 mg/L @ 25 °C (est)
Insoluble in:
 water
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Type: green
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 bean green bean  raw  green  herbal  spicy  tomato leaf  
Odor Description:
at 0.10 % in dipropylene glycol. 
raw green herbal
  
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Suppliers:
Carbosynth
For experimental / research use only.
2-sec-butylthiazole
Endeavour Specialty Chemicals
2-sec-Butylthiazole 98% F&F
Speciality Chemical Product Groups
Frutarom
2-sec-BUTYL THIAZOLE
Penta International
2-(1-METHYLPROPYL)THIAZOLE, Kosher
Pyrazine Specialties
2-sec-Butylthiazole
also named 2-(1-Methylpropyl) Thiazole
Robinson Brothers
2-sec-Butylthiazole F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
2-sec-Butylthiazole
Treatt
2-sec-Butyl thiazole
NI, Kosher
Odor: Green, herbaceous, spicy, tomato leaf-like
Flavor: green
Used 0.005-0.5ppm, in fruit flavours to add a green-unripe note, as well as vegetable flavours, savoury flavours and condiments. Similar to 2-Isobutylthiazole, it is effective in enhancing tomato based products.
Synonyms   Articles   Notes   Search   Top
Safety Information:
Preferred SDS: View
European information :
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.
 
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
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 2-sec-butyl thiazole usage levels up to:
  0.0500 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/day)
Structure Class: II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 6
Click here to view publication 6
 average usual ppmaverage maximum ppm
baked goods: -0.50000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -0.50000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.10000
fruit ices: -0.10000
gelatins / puddings: -0.10000
granulated sugar: --
gravies: -0.20000
hard candy: -0.50000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.20000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.20000
sugar substitutes: --
sweet sauces: --
Synonyms   Articles   Notes   Search   Top
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
Scientific Opinion on Flavouring Group Evaluation 76, Revision 1 (FGE.76Rev1): Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 and miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21Rev3
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 519539
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1993
WGK Germany: 3
 2-butan-2-yl-1,3-thiazole
Chemidplus: 0018277275
 2-[(2R)-butan-2-yl]-1,3-thiazole
 2-[(2S)-butan-2-yl]-1,3-thiazole
Synonyms   Articles   Notes   Search   Top
References:
 2-butan-2-yl-1,3-thiazole
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 18277-27-5
Pubchem (cid): 519539
Pubchem (sid): 135264333
 2-[(2R)-butan-2-yl]-1,3-thiazole
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 18277-27-5
Pubchem (cid): 5289510
Pubchem (sid): 39321689
 2-[(2S)-butan-2-yl]-1,3-thiazole
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 18277-27-5
Pubchem (cid): 446177
Pubchem (sid): 36888668
Synonyms   Articles   Notes   Search   Top
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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB37140
FooDB: FDB016135
Export Tariff Code: 2934.10.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
animal
animal
isobutyl quinolineFR
balsamic
 cinnamyl formateFL/FR
ethereal
 ethyl 4-pentenoateFL/FR
fatty
(E)-2-octenalFL/FR
floral
 dihydrorose oxideFR
 dimethyl benzyl carbinyl butyrateFL/FR
2,4-dimethyl-3-cyclohexene-1-methanolFR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 neryl formateFL/FR
2-pentyl cyclopentanoneFR
isophytolFL/FR
 rose pyranFR
fruity
 tropical indeneFR
green
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
2-isobutyl thiazoleFL/FR
 geranium thiazoleFL/FR
 heptanal (aldehyde C-7)FL/FR
1-heptanolFL/FR
1-hepten-3-olFL/FR
(E)-4-hexen-1-ol 
(Z)-4-hexen-1-olFL/FR
3-hexenalFL/FR
3-hexenyl 2-methyl butyrateFL/FR
english ivy leaf absoluteFR
(E)-2-pentenalFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
herbal
6-acetoxydihydrotheaspiraneFL/FR
alpha-amyl cinnamyl formateFL/FR
 anethum graveolens herb oilFL/FR
 anthemis nobilis flower oil romanFL/FR
sweet basil absoluteFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 dimethyl benzyl carbinyl formateFL/FR
cis-herbal cyclohexaneFR
 herbal dioxaneFR
 herbal heptaneFR
 hop absoluteFL/FR
 hop oilFL/FR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
 marigold oil mexicoFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 mistletoe absolute 
 nonisyl formateFR
1-octen-3-yl acetateFL/FR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 perillaldehydeFL/FR
 reseda absoluteFR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
 theaspiraneFL/FR
 thyme absoluteFL/FR
 tricyclodecyl acetateFR
 viridiflorolFL/FR
 wormwood oil americaFL/FR
malty
S-methyl methioninium chloride 
minty
(-)-isopulegolFL/FR
mossy
 treemoss absoluteFR
pine
 dipentene terpene hydrocarbon byproductsFR
spicy
isobutyl angelateFL/FR
(-)-cubenolFL/FR
 cuminaldehydeFL/FR
isocyclogeraniol (IFF)FR
 dimethyl sulfideFL/FR
 ethyl methyl mercaptopropionateFL/FR
 methyl 3-(methyl thio) propionateFL/FR
vegetable
 methionalFL/FR
woody
alpha-thujene 
 verdoxanFR
 
For Flavor
 
No flavor group found for these
6-acetoxydihydrotheaspiraneFL/FR
alpha-amyl cinnamyl formateFL/FR
isobutyl heptanoateFL/FR
4-butyl thiazoleFL
(+)-alpha-campholenic aldehydeFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 ethyl 4-pentenoateFL/FR
 fig leaf absoluteFL
 heptanal (aldehyde C-7)FL/FR
(E,E)-2,4-hexadien-1-olFL
 linalyl formateFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 mistletoe absolute 
2-propyl thiazoleFL
(-)-isopulegolFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
alpha-thujene 
 viridiflorolFL/FR
cooling
 theaspiraneFL/FR
fatty
(E)-2-octenalFL/FR
fermented
 methyl thio isovalerateFL
floral
 dimethyl benzyl carbinyl butyrateFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
fruity
 linalyl octanoateFL/FR
 neryl formateFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
green
isobutyl angelateFL/FR
isobutyl methyl ketoneFL/FR
2-isobutyl thiazoleFL/FR
 geranium thiazoleFL/FR
1-hepten-3-olFL/FR
(E)-4-hexen-1-ol 
(Z)-4-hexen-1-olFL/FR
3-hexenalFL/FR
3-hexenyl 2-methyl butyrateFL/FR
1-octen-3-yl acetateFL/FR
(E)-2-pentenalFL/FR
herbal
 anethum graveolens herb oilFL/FR
 anthemis nobilis flower oil romanFL/FR
sweet basil absoluteFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 marigold oil mexicoFL/FR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 thyme absoluteFL/FR
 wormwood oil americaFL/FR
metallic
2,5-dihydroxy-1,4-dithianeFL
oily
isophytolFL/FR
onion
 methyl propyl disulfideFL
solvent
1-heptanolFL/FR
spicy
 cinnamyl formateFL/FR
(-)-cubenolFL/FR
 cuminaldehydeFL/FR
 perillaldehydeFL/FR
sulfurous
 dimethyl sulfideFL/FR
 ethyl methyl mercaptopropionateFL/FR
 ethyl methyl sulfideFL
S-methyl methioninium chloride 
 potato butanoneFL
tomato
 methionalFL/FR
vegetable
 methyl 3-(methyl thio) propionateFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 greenFR
 herbalFR
 tomatoFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 tomato
Search  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
2-butan-2-yl-1,3-thiazole
2-(butan-2-yl)-1,3-thiazole
2-sec-butyl-1,3-thiazole
2-(sec-butyl)thiazole
2-sec-butylthiazole
2-(1-methyl propyl) thiazole
2-(1-methylpropyl)-thiazole
2-(1-methylpropyl)thiazole
 thiazole, 2-(1-methylpropyl)-
 thiazole, 2-sec-butyl-
Synonyms   Articles   Notes   Search   Top
Articles:
PubMed: Comparison of urinary scents of two related mouse species, Mus spicilegus and Mus domesticus.
PubMed: Mice recognize recent urine scent marks by the molecular composition.
PubMed: Backbone motions of free and pheromone-bound major urinary protein I studied by molecular dynamics simulation.
PubMed: Thermodynamic consequences of disrupting a water-mediated hydrogen bond network in a protein:pheromone complex.
PubMed: Temperature-dependent spectral density analysis applied to monitoring backbone dynamics of major urinary protein-I complexed with the pheromone 2- sec-butyl-4,5-dihydrothiazole.
PubMed: Absolute configuration of 2-sec-butyl-4,5-dihydrothiazole in male mouse urine.
PubMed: Thermodynamic analysis of binding between mouse major urinary protein-I and the pheromone 2-sec-butyl-4,5-dihydrothiazole.
PubMed: Characterization of urinary volatiles in Swiss male mice (Mus musculus): bioassay of identified compounds.
PubMed: Unravelling the chemical basis of competitive scent marking in house mice.
PubMed: Positive identification of the puberty-accelerating pheromone of the house mouse: the volatile ligands associating with the major urinary protein.
PubMed: Increased protein backbone conformational entropy upon hydrophobic ligand binding.
PubMed: NMR mapping of the recombinant mouse major urinary protein I binding site occupied by the pheromone 2-sec-butyl-4,5-dihydrothiazole.
PubMed: Patterns of expression of the immediate-early gene egr-1 in the accessory olfactory bulb of female mice exposed to pheromonal constituents of male urine.
PubMed: Proteins in urine scent marks of male house mice extend the longevity of olfactory signals.
PubMed: Electrophysiological and biochemical responses of mouse vomeronasal receptor cells to urine-derived compounds: possible mechanism of action.
PubMed: 2-sec-butyl-4,5-dihydrothiazole is a ligand for mouse urinary protein and rat alpha 2u-globulin: physiological and toxicological relevance.
PubMed: Effect of urine-derived compounds on cAMP accumulation in mouse vomeronasal cells.
PubMed: Stereoselectivity in mammalian chemical communication: male mouse pheromones.
PubMed: Pheromone binding proteins of the mouse, Mus musculus.
PubMed: Promotion of the Whitten effect in female mice by synthetic analogs of male urinary constituents.
PubMed: An in vivo/in vitro evaluation of teratogenic action.
PubMed: Identification of dihydrothiazoles in urine of male mice.
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