thioguaiacol
 
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IUPAC name :2-methoxybenzenethiol
InChI :InChI=1/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChIKey :DSCJETUEDFKYGN-UHFFFAOYAB
SMILES :COC1=CC=CC=C1S
(EINECS) number :230-605-7
cas number :7217-59-6
beilstein number :2042178
fema number :4159
coe number :11880
jecfa number :1666
fl. number :12.139
molar refractivity :41.10 ± 0.3 cm3
parachor :312.4 ± 4.0 cm3
index of refraction :1.565 ± 0.02
surface tension :37.7 ± 3.0 dyne/cm
density :1.112 ± 0.06 g/cm3
polarizability :16.29 ± 0.5 10-24cm3
xlogp : 2.30
molecular weight : 140.2028200
formula :C7 H8 O S
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :2-Methoxythiophenol
 ≥97%
 
Treatt :2-Mercaptoanisole
Treatt USA :2-Mercaptoanisole
 
 

organoleptics :
odor type :meaty
odor strength :very high ,
recommend smelling in a 0.10 % solution or less
odor description¹ :
at 1.00 % in propylene glycol.  
meaty smoked sausage powdery sweet spicy phenolic sulfurous
taste description² :at 1.00 ppm in water.  
meaty sausage
substantivity :4 hour(s) at 1.00 % in propylene glycol

properties :
appearence :pale yellow to yellow clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.13700 - 1.14900 @ 25.00 °C.
pounds per gallon - calc. : 9.461 to 9.561
refractive index :1.58900 - 1.59500 @ 20.00 °C.
boiling point : 99.00 °C. @ 8.00 mm Hg
boiling point : 225.00 - 228.00 °C. @ 760.00 mm Hg
logp : 2.24

safety :
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    1740.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 204.00  °F.  TCC  ( 95.56 °C. )
  
recommendation for thioguaiacol usage levels up to :
 not for fragrance use.
  
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).
publication number : 22.
4159 average usual ppmaverage maximum ppm
baked goods : 0.400002.00000
beverages(nonalcoholic) : 0.200001.00000
beverages(alcoholic) : --
breakfast cereal : 0.200001.00000
cheese : 0.400002.00000
chewing gum : --
condiments / relishes : 0.200001.00000
confectionery froastings : 0.400002.00000
egg products : --
fats / oils : 0.200001.00000
fish products : 0.100000.40000
frozen dairy : 0.400002.00000
fruit ices : 0.400002.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : 0.400002.00000
instant coffee / tea : --
jams / jellies : --
meat products : 0.100000.40000
milk products : 0.400002.00000
nut products : --
other grains : 0.200001.00000
poultry : 0.100000.40000
processed fruits : 0.300001.50000
processed vegetables : 0.300001.50000
reconstituted vegetables : --
seasonings / flavors : 0.200001.00000
snack foods : --
soft candy : --
soups : 0.200001.00000
sugar substitutes : --
sweet sauces : 0.200001.00000

safety links :
(EINECS) number :230-605-7
rtecs :DC1790000 for 7217-59-6
chemidplus :007217596
epa-srs :7217-59-6
  

other :
 

references :
jecfa number :1666
fl. number :12.139
pubchem :166208
NIST Chemistry WebBook :4136137556
  
reference : Luebke, William tgsc, (2006)¹
reference : Luebke, William tgsc, (2006)²
synonyms :
2-mercaptoanisole
2-methoxybenzene thiol
ortho-methoxybenzene thiol
2-methoxybenzene-1-thiol
2-methoxythiophenol
ortho-methoxythiophenol
 thioguaiacol
soluble in :
 alcohol
 propylene glycol
insoluble in :
 water
stability :
 stable in most media
(odor and/or flavor) blends with :
4-acetyl-2-methyl pyrimidine
4-allyl-2,6-dimethoxyphenol
4-aminobutyric acid
 amyl mercaptan
 anisyl propanal / methyl anthranilate schiff's base
 bacon dithiazine
1,3-butane dithiol
2,3-butane dithiol
2-(2-butyl)-4,5-dimethyl-3-thiazoline
 butyraldehyde
 coffee difuran
 cyclopropyl (E,Z)-2,6-nonadienamide
2,5-diethyl thiazole
3,5-diethyl-2-methyl pyrazine
2,5-diethyl-3-methyl pyrazine
 difurfuryl sulfide
2,5-dihydroxy-1,4-dithiane
N-(2,4-dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
2,5-dimethyl furan
para-alpha-dimethyl styrene
 dimethyl tetrasulfide
2,6-dimethyl thiophenol
 dimethyl trisulfide
4,5-dimethyl-2-ethyl-3-thiazoline
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
2,5-dimethyl-3-furan thiol
bis(2,5-dimethyl-3-furyl) disulfide
2,5-dimethyl-3-thiofuroyl furan
1,1-ethane dithiol 1% in ethanol
 ethyl (E,Z)-2,6-nonadienamide
S-ethyl 2-acetyl aminoethane thioate
 ethyl 3-mercaptopropionate
 ethyl 4-(acetyl thio) butyrate
 ethyl cinnamate
S-ethyl thioacetate
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazoline
 fish thiol
 furfuryl isopropyl sulfide
4-furfuryl thio-2-pentanone
 guaiacwood oil
 guaiacyl phenyl acetate
 hazelnut pyrazine
N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
1,6-hexane dithiol
 hexyl mercaptan
 meaty dithiane
4-mercapto-2-pentanone 1% in acetoin
2-mercapto-3-pentanone
2-mercaptomethyl pyrazine
2-mercaptopropionic acid
N1-(2-methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N1-(2-methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
 methyl 2-methyl-3-furyl disulfide
2-methyl 3-(methyl thio) furan 10% in triacetin
4-methyl 4-mercaptopentan-2-one 1% in pg
 methyl dihydrofuran thiol
4-methyl nonanoic acid
2-methyl pyrazine
2-methyl thiazolidine
2-(methyl thio) ethanol
12-methyl tridecanal
2-methyl-1-methyl thio-2-butene
3-methyl-2-butane thiol
2-methyl-3-(methyl thio) pyrazine
2-methyl-3-furyl tetrasulfide
bis(2-methyl-3-furyl) disulfide
S-(2-methyl-3-furyl) ethane thioate
3-((2-methyl-3-furyl)thio)-4-heptanone
4-((2-methyl-3-furyl)thio)-5-nonanone
2-methyl-3-tetrahydrofuran thiol
2-naphthyl mercaptan
1,9-nonane dithiol
 nutty thiazole
1,8-octane dithiol
 peanut dithiazine
1-phenethyl mercaptan
1,3-propane dithiol
2-propionyl-2-thiazoline
 propyl 2-mercaptopropionate
 propyl 2-methyl-3-furyl disulfide
isopropyl disulfide
isopropyl mercaptan
 pyrazinyl ethane thiol
2-pyridinyl methane thiol
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
 roasted butanol
 rum ether
 sulfuryl acetate
3-tetrahydrothiophenone
 thialdine
 thiazole
3-thienyl mercaptan
1-(2-thienyl) butanone
ortho-thiocresol
 tyramine
 zingerone
(odor and/or flavor) used in :
 coffee
 meat
 meat smoked meat
natural occurrence in :
coffee



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