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vinyl sulfurol

Chemical Structure

General Material Information

Preferred name vinyl sulfurol
Trivial Name 4-Methyl-5-vinylthiazole
Short Description 4-methyl-5-vinylthiazole
Formula C6 H7 N S
CAS Number 1759-28-0
FEMA Number 3313
Flavis Number 15.018
ECHA Number 217-160-4
FDA UNII 1G77935P78
Nikkaji Number J24.662J
Beilstein Number 0107867
MDL MFCD00005337
COE Number 11633
xLogP3-AA 2.20 (est)
NMR Predictor External link
JECFA Food Flavoring 1038 4-methyl-5-vinylthiazole
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1759-28-0 ; 4-METHYL-5-VINYLTHIAZOLE
Synonyms
  • 5-ethenyl-4-methyl thiazole
  • 5-ethenyl-4-methyl-1,3-thiazole
  • 5-ethenyl-4-methylthiazole
  • 4-methyl-5-vinyl thiazole
  • 4 methyl-5-vinyl thiazole
  • 4-methyl-5-vinyl thiazole (50% in benzyl alcohol)
  • 4-methyl-5-vinyl thiazole (neat)
  • 4-methyl-5-vinyl-1,3-thiazole
  • 4-methyl-5-vinylthiazole
  • 4-methyl-5-vinylthiazole natural 5% in ETOH
  • thiazole, 4-methyl-5-vinyl-
  • thiazole, 5-ethenyl-4-methyl-
  • vinylsulfurol
  • 5-ethenyl-4-methyl-1,3-thiazole
  • 5-Ethenyl-4-methylthiazole
  • 4-Methyl-5-vinylthiazole
  • 5-Vinyl-4-methylthiazole
  • 4-Methyl-5-ethenylthiazole

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

Google Scholar Start search
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Perfumer & Flavorists Start search
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NCBI Start search

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):HMDB31858
FooDB:FDB008542
Export Tariff Code:2934.10.0090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 125.19378662109
Specific gravity @ 25 °C
Pounds per Gallon 9.053 to 9.17
Refractive Index 1.555 to 1.575 @ 20 °C
Boiling Point 78 to 80°C @ 25 mm Hg
Boiling Point 173 to 174°C @ 760 mm Hg
Vapor Pressure 0.962 mmHg @ 25 °C
Vapor Density 4.3
Flash Point TCC Value 70.56 °C TCC
logP (o/w) 1.552 est
Solubility
alcohol Yes
water Yes
water, 787.9 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Nutty
musty, nutty, rooty, vegetable, cocoa, root beer
General comment At 0.10 % in dipropylene glycol. musty nutty root vegetable cocoa
Mosciano, Gerard P&F 16, No. 2, 49, (1991) Diffusive, musty, nutty, root vegetable-like
Flavor Type: Nutty
nutty, musty, earthy, cocoa, powdery
Mosciano, Gerard P&F 16, No. 2, 49, (1991) At 20.00 ppm. Nutty, musty, earthy, cocoa powder like
Used in bakery and desserts at 10ppm, and in meat products and soups at 5ppm, also in frozen and sweet confectionery. Nutty

Occurrences

Potential Uses

Applications
Odor purposes Passion fruit
Flavoring purposes Bakery, Chocolate cocoa, Coffee, Filbert, Hazelnut, Meat, Nut, Potato, Soup
Other purposes Confection

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 01/02 - Keep locked up and out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
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:
oral-mouse LD50 400 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 vinyl sulfurol usage levels up to:
0.0500 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.10 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (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: 5
Click here to view publication 5
average usual ppmaverage maximum ppm
baked goods: -8.00000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.00000
fruit ices: -2.00000
gelatins / puddings: -8.00000
granulated sugar: --
gravies: -6.00000
hard candy: -2.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -6.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -6.00000
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 the safety and efficacy of thiazoles, thiophene, thiazoline and thienyl derivatives (chemical group 29): 3-acetyl-2,5-dimethylthiophene when used as a flavouring for all animal species
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):1759-28-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :15654
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
5-ethenyl-4-methyl-1,3-thiazole
Chemidplus:0001759280
RTECS:XJ5104000 for cas# 1759-28-0