vinyl sulfurol
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IUPAC name :5-ethenyl-4-methyl-1,3-thiazole
InChI :InChI=1/C6H7NS/c1-3-6-5(2)7-4-8-6/h3-4H,1H2,2H3
InChIKey :QUAMMXIRDIIGDJ-UHFFFAOYAA
SMILES :CC1=C(SC=N1)C=C
cas number :1759-28-0
(EINECS) number :217-160-4
beilstein number :0107867
fema number :3313
coe number :11633
jecfa number :1038
fl. number :15.018
molar refractivity :38.47 ± 0.3 cm3
parachor :287.1 ± 4.0 cm3
index of refraction :1.587 ± 0.02
surface tension :39.7 ± 3.0 dyne/cm
density :1.094 ± 0.06 g/cm3
polarizability :15.25 ± 0.5 10-24cm3
XlogP : 1.30
molecular weight : 125.1914800 (IUPAC)
formula :C6 H7 N S
NMR Predictor :Predict
 
 
export tariff code :2934.10.0000
fda reg :unspecified
Suppliers :
Citrus and Allied Essences :4-Methyl-5-Vinyl Thiazole
Odor:  burnt meat base with a fruity topnote
Endeavour :4-Methyl-5-vinylthiazole
99%
Fontarome :4-METHYL-5-VINYL THIAZOLE
Odor:  Cocoa, chocolate, almond, bean
Frutarom :4-METHYL-5-VINYLTHIAZOLE
≥99.00%, NI, Kosher
Odor:  Cocoa, Musty, Nutty, Vegetable
Suggested Uses: Bakery, Chocolate, Cocoa, Dairy Products, Savoury
Penta :4-methyl-5-vinyl thiazole
SAFC Global® :4-Methyl-5-vinylthiazole
≥97%, Kosher
Odor:  chocolate; nutty
Treatt :4-Methyl-5-vinyl thiazole
organoleptics :
odor type :nutty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in dipropylene glycol.  		musty nutty root vegetable cocoa
odor description:
Diffusive, musty, nutty, root vegetable-like
Mosciano, Gerard P&F 16, No. 2, 49, (1991)
taste description:
at 20.00 ppm.  		Nutty, musty, earthy, cocoa powder like
Mosciano, Gerard P&F 16, No. 2, 49, (1991)
properties :
appearence :yellow to deep reddish amber clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.09200 to 1.09700 @ 25.00 °C.
pounds per gallon - calc. : 9.087 to 9.128
refractive index :1.56100 to 1.56800 @ 20.00 °C.
melting point : -15.00 °C. @ 760.00 mm Hg
boiling point : 78.00 to 80.00 °C. @ 25.00 mm Hg
boiling point : 173.00 to 174.00 °C. @ 760.00 mm Hg
vapor density :4.3 ( Air = 1 )
flash point : 159.00  °F.  TCC  ( 70.56 °C. )
logP (o/w) : 1.38
safety :
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.
Oral Toxicity(LD50) : 
  Oral-Mouse    400.00  mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :2.10 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.20 (μg/capita/day)
 
recommendation for vinyl sulfurol fragrance usage levels up to :
 not for fragrance use.
recommendation for vinyl sulfurol flavor usage levels up to :
  20.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
5-ethenyl-4-methyl-1,3-thiazole
(EINECS) number :217-160-4
RTECS :XJ5104000 for cas# 1759-28-0
chemidplus :001759280
EPA Substance Registry Services :1759-28-0
references :
 
5-ethenyl-4-methyl-1,3-thiazole
fl. number :15.018
jecfa number :1038
NIST Chemistry WebBook :3884384739
pubchem :158956
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
5-ethenyl-4-methyl thiazole
5-ethenyl-4-methyl-1,3-thiazole
4-methyl-5-vinyl thiazole
soluble in :
 alcohol
 water
potential blenders :    note
2-acetyl pyrazineFL/FR
1-allyl-2,2,7,7-tetramethyl cycloheptanolFR
alpha-amyl cinnamyl acetateFL/FR
 amyl phenyl acetateFL/FR
isoamyl phenyl acetateFL/FR
 amyl salicylateFL/FR
 butyl phenyl acetateFL/FR
isobutyl phenyl acetateFL/FR
 butyraldehydeFL
 chocolate pyrazine AFL/FR
 cocoa oleoresinFL
 cyclohexyl methyl pyrazineFL
2,5-diethyl thiazoleFL
4,5-dimethyl-2-ethyl-3-thiazolineFL
2,4-dimethyl-5-vinyl thiazoleFL
 ethyl vanillin isobutyrateFL/FR
 methyl ethoxypyrazineFL
2-methyl furanFL
2-methyl pyrazineFL/FR
 phenyl acetic acidFL/FR
 prenyl benzoateFL/FR
 rhubarb pyranFR
2,3,5,6-tetramethyl pyrazineFL
 tricyclodecenyl isobutyrateFR
2,4,5-trimethyl thiazoleFL/FR
 vanillinFL/FR
 vanillyl isobutyrateFL/FR
potential uses :
 chocolate cocoa
 coffee
 meat
 nut
 nut filbert
 nut hazelnut
 passion fruit
 potato
natural occurrence in :    note
 brandy grape brandy  
 cocoa S
 coffee  
 cognac  
 filbert  
 garlic S
 hazelnut roasted hazelnut  
 passion fruit yellow  

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