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4,5-dimethyl-2-ethyl-3-thiazoline

Chemical Structure

General Material Information

Preferred name 4,5-dimethyl-2-ethyl-3-thiazoline
Trivial Name 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole
Short Description 2-ethyl-4,5-dimethyl-3-thiazoline
Formula C7 H13 N S
CAS Number 76788-46-0
FEMA Number 3620
Flavis Number 15.03
ECHA Number 278-551-3
FDA UNII G7XZR26U8K
Nikkaji Number J309.326C
Beilstein Number 0108717
MDL MFCD01680821
xLogP3-AA 1.80 (est)
NMR Predictor External link
JECFA Food Flavoring 1058 4,5-dimethyl-2-ethyl-3-thiazoline
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 76788-46-0 ; 4,5-DIMETHYL-2-ETHYL-3-THIAZOLINE
Synonyms
  • 2-ethyl-2,5-dihydro-4,5-dimethyl thiazole
  • 2-ethyl-2,5-dihydro-4,5-dimethylthiazole
  • 2-ethyl-4,5-dimethyl thiazoline
  • 2-ethyl-4,5-dimethyl-1,3-thiazoline
  • 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
  • 2-ethyl-4,5-dimethyl-3-thiazoline
  • 2-ethyl-4,5-dimethylthiazoline
  • thiazole, 2-ethyl-2,5-dihydro-4,5-dimethyl-
  • thiazole, 2,5-dihydro-4,5-dimethyl-2-ethyl-
  • 3-thiazoline, 2-ethyl-4,5-dimethyl-
  • 3-thiazoline, 4,5-dimethyl-2-ethyl-
  • 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
  • 3-Thiazoline, 2-ethyl-4,5-dimethyl-
  • 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole
  • 2-Ethyl-4,5-dimethyl-2,5-dihydrothiazole

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB37176
FooDB:FDB016172
Export Tariff Code:2934.10.0090
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 143.25260925293
Boiling Point 198 to 200°C @ 760 mm Hg
Vapor Pressure 0.468 mmHg @ 25 °C
Flash Point TCC Value 65.56 °C TCC
logP (o/w) 3.071 est
Shelf life 12 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 61.77 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Nutty
meaty, nutty, musty, sulfurous, coffee, chocolate, raw, vegetable
General comment At 0.10 % in dipropylene glycol. meat nut musty sulfury coffee chocolate raw vegetable
Flavor Type: Nutty
nut skin, raw, vegetable, nutty, cocoa, earthy, musty
General comment Nut skin raw vegetable nutty cocoa earthy musty

Safety Information

Safety information

European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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:
gavage-mouse LD50 [sex: M,F] 1265 mg/kg
(Moran et al., 1980)

oral-mouse LD50 1265 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 4,5-dimethyl-2-ethyl-3-thiazoline usage levels up to:
0.0500 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (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 ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: -10.00000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -10.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -10.00000
milk products: --
nut products: --
other grains: --
poultry: -10.00000
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -10.00000
soft candy: --
soups: -10.00000
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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5362584
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
Chemidplus:0076788460
RTECS:XJ6642500 for cas# 76788-46-0