EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-sec-butyl thiazole
2-sec-butylthiazole

Sponsors

Name:2-butan-2-yl-1,3-thiazole
CAS Number: 18277-27-5Picture of molecule3D/inchi
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)
Name:2-[(2R)-butan-2-yl]-1,3-thiazole
CAS Number: 18277-27-5 (R)Picture of molecule3D/inchi
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)
Name:2-[(2S)-butan-2-yl]-1,3-thiazole
CAS Number: 18277-27-5 (S)Picture of molecule3D/inchi
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:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-(1-METHYLPROPYL)THIAZOLE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.99800 to 1.00300 @ 25.00 °C.
Pounds per Gallon - (est).: 8.304 to 8.346
Refractive Index:1.49600 to 1.50200 @ 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
 
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
Odor and/or flavor descriptions from others (if found).
Treatt
2-sec-Butyl thiazole NI, Kosher
Odor Description:Green, herbaceous, spicy, tomato leaf-like
Taste Description: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.
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-(1-Methylpropyl)-thiazole
Carbosynth
For experimental / research use only.
2-sec-butylthiazole
Endeavour Specialty Chemicals
2-sec-Butylthiazole 98% F&F
Speciality Chemical Product Groups
Penta International
2-(1-METHYLPROPYL)THIAZOLE, Kosher
Robinson Brothers
2-sec-Butylthiazole F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
2-sec-Butylthiazole
Synerzine
2-sec-Butylthiazole
also named 2-(1-Methylpropyl) Thiazole
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.
 
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
 
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
 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: --
 
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
 
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
 
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
 
Potential Blenders and core components note
For Odor
animal
iso
butyl quinoline
FR
balsamic
cinnamyl formate
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
fatty
(E)-2-
octenal
FL/FR
floral
dihydrorose oxide
FR
dimethyl benzyl carbinyl butyrate
FL/FR
2,4-
dimethyl-3-cyclohexene-1-methanol
FR
geranium oil africa
FL/FR
geranium oil egypt
FL/FR
neryl formate
FL/FR
2-
pentyl cyclopentanone
FR
iso
phytol
FL/FR
rose pyran
FR
fruity
tropical indene
FR
green
iso
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
2-iso
butyl thiazole
FL/FR
geranium thiazole
FL/FR
heptanal (aldehyde C-7)
FL/FR
1-
heptanol
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
3-
hexenal
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
english
ivy leaf absolute
FR
(E)-2-
pentenal
FL/FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
anethum graveolens herb oil
FL/FR
anthemis nobilis flower oil roman
FL/FR
sweet
basil absolute
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
dill weed oil cuba
FL/FR
dill weed oil reunion
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
cis-
herbal cyclohexane
FR
herbal dioxane
FR
herbal heptane
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
(E)-6-
methyl-3-hepten-2-one
FL/FR
nonisyl formate
FR
1-
octen-3-yl acetate
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
perillaldehyde
FL/FR
reseda absolute
FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
theaspirane
FL/FR
thyme absolute
FL/FR
tricyclodecyl acetate
FR
viridiflorol
FL/FR
wormwood oil america
FL/FR
minty
(-)-iso
pulegol
FL/FR
mossy
treemoss absolute
FR
pine
dipentene terpene hydrocarbon byproducts
FR
spicy
iso
butyl angelate
FL/FR
(-)-
cubenol
FL/FR
cuminaldehyde
FL/FR
iso
cyclogeraniol (IFF)
FR
sulfurous
dimethyl sulfide
FL/FR
ethyl methyl mercaptopropionate
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
vegetable
methional
FL/FR
woody
verdoxan
FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
iso
butyl heptanoate
FL/FR
4-
butyl thiazole
FL
dimethyl benzyl carbinyl formate
FL/FR
ethyl 4-pentenoate
FL/FR
fig leaf absolute
FL
(E,E)-2,4-
hexadien-1-ol
FL
linalyl formate
FL/FR
melaleuca leucadendron var. cajuputi leaf oil
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
2-
propyl thiazole
FL
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
viridiflorol
FL/FR
cooling
cooling
theaspirane
FL/FR
fatty
(E)-2-
octenal
FL/FR
fermented
methyl thio isovalerate
FL
floral
dimethyl benzyl carbinyl butyrate
FL/FR
geranium oil africa
FL/FR
geranium oil egypt
FL/FR
fruity
linalyl octanoate
FL/FR
neryl formate
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
green
iso
butyl angelate
FL/FR
iso
butyl methyl ketone
FL/FR
2-iso
butyl thiazole
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
geranium thiazole
FL/FR
heptanal (aldehyde C-7)
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
3-
hexenal
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
1-
octen-3-yl acetate
FL/FR
(E)-2-
pentenal
FL/FR
herbal
anethum graveolens herb oil
FL/FR
anthemis nobilis flower oil roman
FL/FR
sweet
basil absolute
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
origanum oil
FL/FR
origanum oil greece
FL/FR
thyme absolute
FL/FR
wormwood oil america
FL/FR
metallic
2,5-
dihydroxy-1,4-dithiane
FL
minty
(-)-iso
pulegol
FL/FR
oily
iso
phytol
FL/FR
onion
methyl propyl disulfide
FL
solvent
1-
heptanol
FL/FR
spicy
cinnamyl formate
FL/FR
(-)-
cubenol
FL/FR
cuminaldehyde
FL/FR
perillaldehyde
FL/FR
sulfurous
dimethyl sulfide
FL/FR
ethyl methyl mercaptopropionate
FL/FR
ethyl methyl sulfide
FL
potato butanone
FL
tomato
methional
FL/FR
vegetable
methyl 3-(methyl thio) propionate
FL/FR
 
Potential Uses:
FRgreen
FRherbal
FLtomato
 
Occurrence (nature, food, other):note
 tomato
Search Trop Picture
 
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-
 

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.
 
Notes:
Used as a food additive [EAFUS]
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