CAS Number: | 65894-83-9 | 3D/inchi
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ECHA EINECS - REACH Pre-Reg: | 265-969-6 |
FDA UNII: | IJC76KB65W |
Nikkaji Web: | J349.293A |
Beilstein Number: | 0774665 |
MDL: | MFCD01680822 |
XlogP3-AA: | 2.60 (est) |
Molecular Weight: | 171.30649000 |
Formula: | C9 H17 N S |
NMR Predictor: | Predict (works with chrome or firefox) |
EFSA/JECFA Comments: | JECFA evaluated 4,5-dimethyl-2-isobutyl-3-thiazoline (CASrn as in Register). (R)- or (S)- enantiomer not specified by CASrn in Register.
According to JECFA: Min. assay value is ”97 %” and ”60:40 mix of cis and trans isomers”. Mixture of diastereoisomers, each of them racemic (EFFA, 2013b). |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | colorless to pale yellow clear liquid (est) |
Assay: | 97.00 to 100.00 %
|
Food Chemicals Codex Listed: | No |
Specific Gravity: | 0.93300 to 0.93700 @ 25.00 °C.
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Pounds per Gallon - (est).: | 7.763 to 7.797
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Refractive Index: | 1.48300 to 1.48900 @ 20.00 °C.
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Boiling Point: | 206.00 to 208.00 °C. @ 760.00 mm Hg
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Vapor Pressure: | 0.085000 mmHg @ 25.00 °C. (est) |
Flash Point: | 189.00 °F. TCC ( 87.22 °C. )
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logP (o/w): | 3.949 (est) |
Soluble in: |
| alcohol | | water, 7.73 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Organoleptic Properties:
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Odor Type: sulfurous |
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| green nut skin sulfurous burnt cocoa corn |
Odor Description: at 1.00 % in propylene glycol. | green nut skin sulfurous burnt cocoa corn Luebke, William tgsc, (2007) |
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Flavor Type: malty |
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| malty cocoa chocolate hops nut skin cornmeal yeasty meaty |
Taste Description:
| malty cocoa chocolate hops nut skin cornmeal yeasty meaty Luebke, William tgsc, (2007) |
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Odor and/or flavor descriptions from others (if found). |
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R C Treatt & Co Ltd |
2-Isobutyl-4,5-dimethyl-3-thiazoline Halal, Kosher |
Odor Description: | meaty, vegetable, spicy |
Taste Description: | meaty Used in bakery, desserts, and confectionery at 2ppm, and meat products soups and sauces at 0.5ppm. |
|
Firmenich |
Thiazoline Nat 1 TRIAC |
Odor Description: | green nut skin sulfurous burnt cocoa corn |
Taste Description: | Malt, cocoa, hop and tropical fruit notes |
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Cosmetic Information:
Suppliers:
Ambles Nature et Chimie |
4.5-DIMETHYL-2-ISOBUTYL-3-THIAZOLINE
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Anhui Suzhou Jinli Aromatic Chemicals |
4,5-DimethyI-2-isobutyl-3-thiazoline
Odor: nut, meat, spicy |
Beijing Lys Chemicals |
4,5-Dimethyl-2-isobutyl-3-thaizoline
|
BOC Sciences |
For experimental / research use only. |
4,5-Dimethyl-2-isobutyl-3-thiazoline
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DeLong Chemicals America |
4,5-Dimethyl-2-isobutyl-3-thiazoline, Kosher
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Endeavour Specialty Chemicals |
4,5-Dimethyl-2-isobutyl-3-thiazoline 97% F&F
|
Speciality Chemical Product Groups |
Firmenich |
Thiazoline Nat 1 TRIAC
Flavor: Malt, cocoa, hop and tropical fruit notes |
Jiangyin Healthway |
4,5-Dimethyl-2-isobutyl-3-thiazoline
|
New functional food ingredients |
Jinan Enlighten Chemical Technology(Wutong Aroma ) |
4,5-Dimethyl-2-isobutyl-3-thiazoline, Kosherk
|
M&U International |
4,5-DIMETHYL-2-ISOBUTYL-3-THIAZOLINE, Kosher
|
Penta International |
4,5-DIMETHYL-2-ISOBUTYL-3-THIAZOLINE
|
R C Treatt & Co Ltd |
2-Isobutyl-4,5-dimethyl-3-thiazoline
Halal, Kosher Odor: meaty, vegetable, spicy Flavor: meaty Used in bakery, desserts, and confectionery at 2ppm, and meat products soups and sauces at 0.5ppm. |
Robinson Brothers |
4,5-Dimethyl-2-isobutyl-3-thiazoline F&F
|
https://www.robinsonbrothers.uk/chemistry-competences |
Santa Cruz Biotechnology |
For experimental / research use only. |
4,5-Dimethyl-2-isobutyl-3-thiazoline
|
Sigma-Aldrich: Aldrich |
For experimental / research use only. |
4,5-Dimethyl-2-isobutyl-3-thiazoline 97% (mixture of isomers)
|
Sunaux International |
4,5-Dimethyl-2-isobutyl-3-thiazoline
|
Synerzine |
4,5-Dimethyl-2-Isobutyl-3-Thiazoline
|
TCI AMERICA |
For experimental / research use only. |
2-Isobutyl-4,5-dimethyl-3-thiazoline (mixture of isomers) >95.0%(GC)
|
Tengzhou Jitian Aroma Chemiclal |
4.5-Dimethyl-2-isobutyl-3-thiazoline
|
Tengzhou Xiang Yuan Aroma Chemicals |
4.5-Dimethyl-2-Isobutyl-3-Thiazoline
|
Tianjin Danjun International |
4,5-Dimethyl-2-isobutyl-3-thaizoline
|
United International |
4,5-Dimethyl-2-Isobutyl Thiazoline
|
WholeChem |
4,5-Dimethyl-2-isobutyl-3-thaizoline
|
Safety Information:
Preferred SDS: View |
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
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Pictogram | |
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Hazard statement(s) |
None found. |
Precautionary statement(s) |
None found. |
Oral/Parenteral Toxicity: |
gavage-mouse LD50 [sex: M,F] 3067 mg/kg (Moran et al., 1980)
oral-mouse LD50 3067 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
|
Dermal Toxicity: |
Not determined
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Inhalation Toxicity: |
Not determined
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Safety in Use Information:
Category: | flavoring agents |
Recommendation for yeast thiazoline usage levels up to: | | not for fragrance use.
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|
Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) |
Maximised Survey-derived Daily Intakes (MSDI-USA): | 4.00 (μg/capita/day) |
Structure Class: | III |
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: 12 |
Click here to view publication 12 |
| average usual ppm | average maximum ppm |
baked goods: | - | 2.00000 |
beverages(nonalcoholic): | - | - |
beverages(alcoholic): | - | - |
breakfast cereal: | - | - |
cheese: | - | - |
chewing gum: | - | - |
condiments / relishes: | - | - |
confectionery froastings: | - | 2.00000 |
egg products: | - | - |
fats / oils: | - | - |
fish products: | - | - |
frozen dairy: | - | - |
fruit ices: | - | - |
gelatins / puddings: | - | 2.00000 |
granulated sugar: | - | - |
gravies: | - | 0.50000 |
hard candy: | - | - |
imitation dairy: | - | - |
instant coffee / tea: | - | - |
jams / jellies: | - | - |
meat products: | - | 0.50000 |
milk products: | - | - |
nut products: | - | - |
other grains: | - | - |
poultry: | - | - |
processed fruits: | - | - |
processed vegetables: | - | - |
reconstituted vegetables: | - | - |
seasonings / flavors: | - | - |
snack foods: | - | - |
soft candy: | - | - |
soups: | - | 0.50000 |
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 |
Statement on List of Representative Substances for Testing.
The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). 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 |
AIDS Citations: | Search |
Cancer Citations: | Search |
Toxicology Citations: | Search |
EPA Substance Registry Services (TSCA): | 65894-83-9 |
EPA ACToR: | Toxicology Data |
EPA Substance Registry Services (SRS): | Registry |
Laboratory Chemical Safety Summary : | 4120025 |
National Institute of Allergy and Infectious Diseases: | Data |
WISER: | UN 1993 |
WGK Germany: | 2 |
| 4,5-dimethyl-2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole |
Chemidplus: | 0065894839 |
RTECS: | XJ6642800 for cas# 65894-83-9 |
References:
Other Information:
Potential Blenders and core components note
|
For Odor |
alliaceous |
| ferula assa-foetida gum oil | FL/FR |
| methyl furfuryl disulfide | FL/FR |
caramellic |
| geranyl crotonate | FR |
chocolate |
| cocoa hexenal | FL/FR |
2,4,5- | trimethyl thiazole | FL/FR |
| popcorn pyrimidine | FL/FR |
earthy |
1- | octen-3-ol | FL/FR |
ethereal |
| ethyl pyruvate | FL/FR |
5- | methyl-5-hexen-2-one | FL/FR |
fermented |
| valeraldehyde | FL/FR |
floral |
| benzyl phenyl acetate | FL/FR |
fruity |
| hexanal propylene glycol acetal | FL/FR |
2- | pentyl furan | FL/FR |
| tropical thiazole | FL/FR |
green |
| cortex pyridine | FL/FR |
| ethyl (E)-2-hexenoate | FL/FR |
| geranium thiazole | FL/FR |
(Z)-4- | heptenal | FL/FR |
(Z)-3- | hexen-1-yl (E)-crotonate | FL/FR |
(Z)-3- | hexen-1-yl formate | FL/FR |
(Z)-3- | hexen-1-yl lactate | FL/FR |
(Z)-3- | hexen-1-yl phenyl acetate | FL/FR |
(Z)-3- | hexen-1-yl pyruvate | FL/FR |
(Z)-3- | hexen-1-yl tiglate | FL/FR |
4- | hexenol | FL/FR |
| hexyl hexanoate | FL/FR |
| melon nonenoate | FL/FR |
2,6- | nonadien-1-ol | FL/FR |
2- | octen-1-ol | FL/FR |
1- | penten-3-ol | FL/FR |
| phenyl acetaldehyde | FL/FR |
herbal |
| acorn acetate | FR |
melon |
(Z)-6- | nonen-1-ol | FL/FR |
minty |
iso | propyl tiglate | FL/FR |
| hazelnut pyrazine | FL/FR |
nutty |
3- | acetyl pyridine | FL/FR |
2- | acetyl-3-ethyl pyrazine | FL/FR |
2- | acetyl-3-methyl pyrazine | FL/FR |
2- | acetyl-3,5(or 6)-dimethyl pyrazine | FL/FR |
4,5- | dimethyl-2-ethyl-3-thiazoline | FL/FR |
| filbert pyrazine | FL/FR |
| methoxymethyl pyrazine | FL/FR |
5- | methyl quinoxaline | FL/FR |
2- | methyl thio-3,5 or 6-methyl pyrazine | FL/FR |
2- | methyl-3-(methyl thio) pyrazine | FL/FR |
| nutty quinoxaline | FL/FR |
| vinyl sulfurol | FL/FR |
popcorn |
2- | acetyl pyrazine | FL/FR |
2- | acetyl pyridine | FL/FR |
2- | acetyl thiazole | FL/FR |
sulfurous |
| benzothiazole | FL/FR |
| dimethyl disulfide | FL/FR |
| dimethyl sulfide | FL/FR |
| grapefruit menthane | FL/FR |
| lychee mercaptan acetate | FL/FR |
| methyl 3-(methyl thio) propionate | FL/FR |
3-( | methyl thio) hexanol | FL/FR |
3- | thiohexanol | FL/FR |
vegetable |
1- | furfuryl pyrrole | FL/FR |
| mesityl oxide | FL/FR |
| methional | FL/FR |
| tetrahydrofurfuryl alcohol | FL/FR |
waxy |
| methyl octanoate | FL/FR |
|
For Flavor |
|
No flavor group found for these |
2- | acetyl-5-methyl pyrazine | FL |
2- | acetyl-6-methyl pyrazine | FL |
iso | butyl mercaptan | FL |
2-(2- | butyl)-4,5-dimethyl-3-thiazoline | FL |
| diisopropyl sulfide | FL |
| ethyl dimethyl pyrazine | FL |
(Z+E)-5- | ethyl-4-methyl-2-(2-butyl) thiazoline | FL |
(Z+E)-5- | ethyl-4-methyl-2-(2-methyl propyl) thiazoline | FL |
2- | ethyl-4,5-dimethyl oxazole | FL |
(Z)-3- | hexen-1-yl (E)-crotonate | FL/FR |
2- | hexenal | FL |
(E)-4- | hexenal | FL |
2- | methyl thiazole | FL |
4-( | methyl thio) butanol | FL |
2- | methyl-3-(methyl thio) pyrazine | FL/FR |
2- | methyl-5-methoxythiazole | FL |
2- | propionyl pyrrole | FL |
2-iso | propyl-3-(methyl thio) pyrazine | FL |
alliaceous |
| cyclopentyl mercaptan | FL |
| ferula assa-foetida gum oil | FL/FR |
2- | methyl thioacetaldehyde | FL |
3- | tetrahydrothiophenone | FL |
| tropical thiazole | FL/FR |
ammoniacal |
2- | methyl piperidine | FL |
bready |
2- | propionyl thiazole | FL |
chocolate |
| creme de cocoa flavor | FL |
cocoa |
| cocoa hexenal | FL/FR |
coffee |
| methyl furfuryl disulfide | FL/FR |
corn |
2- | acetyl pyridine | FL/FR |
2- | acetyl thiazole | FL/FR |
2- | acetyl-2-thiazoline | FL |
| popcorn pyrimidine | FL/FR |
ethereal |
5- | methyl-5-hexen-2-one | FL/FR |
fatty |
| cocoa butter distillates | FL |
(E,E)-2,4- | heptadienal | FL |
2- | octen-1-ol | FL/FR |
(E)-2- | octenoic acid | FL |
fruity |
| ethyl (E)-2-hexenoate | FL/FR |
| hexanal propylene glycol acetal | FL/FR |
| hexyl hexanoate | FL/FR |
3- | mercaptohexyl hexanoate | FL |
green |
| cortex pyridine | FL/FR |
| dihydroxyacetophenone (mixed isomers) | FL |
| geranium thiazole | FL/FR |
(E)-2- | heptenal | FL |
(Z)-4- | heptenal | FL/FR |
(Z)-3- | hexen-1-yl formate | FL/FR |
(Z)-3- | hexen-1-yl lactate | FL/FR |
(Z)-3- | hexen-1-yl phenyl acetate | FL/FR |
(Z)-3- | hexen-1-yl pyruvate | FL/FR |
(Z)-3- | hexen-1-yl tiglate | FL/FR |
| melon nonenoate | FL/FR |
| methyl octanoate | FL/FR |
3-(5- | methyl-2-furyl) butanal | FL |
2,6- | nonadien-1-ol | FL/FR |
2,4- | octadienal | FL |
4- | penten-1-yl acetate | FL |
1- | penten-3-ol | FL/FR |
2- | pentyl furan | FL/FR |
2- | propyl pyrazine | FL |
iso | propyl tiglate | FL/FR |
| propylene glycol acetone ketal | FL |
honey |
| benzyl phenyl acetate | FL/FR |
| phenyl acetaldehyde | FL/FR |
juicy |
| lychee mercaptan acetate | FL/FR |
meaty |
| benzothiazole | FL/FR |
3- | mercapto-3-methyl butanol | FL |
metallic |
4- | hexenol | FL/FR |
3-( | methyl thio) hexanol | FL/FR |
mushroom |
1- | octen-3-ol | FL/FR |
musty |
2- | ethoxythiazole | FL |
| hazelnut pyrazine | FL/FR |
nutty |
3- | acetyl pyridine | FL/FR |
2- | acetyl-3-ethyl pyrazine | FL/FR |
2- | acetyl-3-methyl pyrazine | FL/FR |
2- | acetyl-3,5(or 6)-dimethyl pyrazine | FL/FR |
3,5- | diethyl-2-methyl pyrazine | FL |
4,5- | dimethyl-2-ethyl-3-thiazoline | FL/FR |
| filbert pyrazine | FL/FR |
| methoxymethyl pyrazine | FL/FR |
5- | methyl quinoxaline | FL/FR |
2- | methyl thio-3,5 or 6-methyl pyrazine | FL/FR |
| nutty quinoxaline | FL/FR |
| tetrahydrofurfuryl alcohol | FL/FR |
2,4,5- | trimethyl thiazole | FL/FR |
| vinyl sulfurol | FL/FR |
onion |
2- | methyl-1,3-dithiolane | FL |
| propyl thioacetate | FL |
popcorn |
2- | propionyl-2-thiazoline | FL |
potato |
| mesityl oxide | FL/FR |
roasted |
2- | acetyl pyrazine | FL/FR |
| ethyl 3-(furfuryl thio) propionate | FL |
rummy |
| ethyl pyruvate | FL/FR |
spicy |
| jalapeno oleoresin | FL |
sulfurous |
| dimethyl disulfide | FL/FR |
| dimethyl sulfide | FL/FR |
| furfuryl methyl sulfide | FL |
| grapefruit menthane | FL/FR |
| methyl 2-methyl-3-furyl disulfide | FL |
| methyl benzyl disulfide | FL |
| methyl thiomethyl butyrate | FL |
| potato butanone | FL |
3- | thiohexanol | FL/FR |
tomato |
| methional | FL/FR |
tropical |
3- | mercaptohexyl butyrate | FL |
vegetable |
1- | furfuryl pyrrole | FL/FR |
| methyl 3-(methyl thio) propionate | FL/FR |
| radish isothiocyanate | FL |
waxy |
(Z)-6- | nonen-1-ol | FL/FR |
winey |
| valeraldehyde | FL/FR |
|
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
2-iso | butyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole | 2-iso | butyl-4,5-dimethyl-2,5-dihydrothiazole | 2-iso | butyl-4,5-dimethyl-3-thiazoline | iso | butyl-4,5-dimethyl-3-thiazoline | 2,5- | dihydro-2-isobutyl-4,5-dimethylthiazole | 2,5- | dihydro-4,5-dimethyl-2-(2-methyl propyl) thiazole | 2,5- | dihydro-4,5-dimethyl-2-(2-methylpropyl) thiazole | 2,5- | dihydro-4,5-dimethyl-2-(2-methylpropyl)thiazole | 2,5- | dihydro-4,5-dimethyl-2-2-methyl propyl thiazole | 2,5- | dihydro-4,5-dimethyl-2-2-methylpropylthiazole | | dimethyl 2 6 isobutyl thiazoline | 4,5- | dimethyl-2-(2-methylpropyl)-1,3-thiazoline | 4,5- | dimethyl-2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole | 4,5- | dimethyl-2-isobutyl-3-thaizoline | 4,5- | dimethyl-2-isobutyl-3-thiazoline | 3- | thiazoline, 2-isobutyl-4,5-dimethyl- |
Articles:
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