ortho-thioguaiacol 7217-59-6

ortho-thioguaiacol

Suppliers organoleptics properties safety references FEMA Index Home Page

Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).

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

cas number :	7217-59-6
(EINECS) number :	230-605-7
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
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Endeavour :

2-Methoxythiophenol
98%

Penta :

2-methoxythiophenol

Sigma-Aldrich-SAFC :

2-Methoxythiophenol
≥97%
Odor: caramel; coffee; smoky

Treatt :

2-Mercaptoanisole

organoleptics :

odor type :

meaty

odor strength :

very high ,
recommend smelling in a 0.10 % solution or less

odor description :¹
at 1.00 % in propylene glycol.

meaty smoked sausage powdery sweet spicy phenolic sulfurous

odor sample from :

Sigma-Aldrich Inc.

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 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.13700 to 1.14900 @ 25.00 °C.

pounds per gallon - calc. :

9.461 to 9.561

refractive index :

1.58900 to 1.59500 @ 20.00 °C.

boiling point :

99.00 °C. @ 8.00 mm Hg

boiling point :

225.00 to 228.00 °C. @ 760.00 mm Hg

flash point :

204.00 °F. TCC ( 95.56 °C. )

logP (o/w) :

2.24

safety :

most important hazard(s) :

Xn - Harmful.

R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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 37/39 - Wear suitable gloves and eye/face protection.

Oral Toxicity(LD50) :

Oral-Rat 1740.00 mg/kg
Food and Cosmetics Toxicology. Vol. 19, Pg. 753, 1981.

Oral-Mouse 1560.00 mg/kg
Food and Cosmetics Toxicology. Vol. 19, Pg. 753, 1981.

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for ortho-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).

The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.

publication number : 22

average usual ppm

average maximum ppm

baked goods :

0.40000

2.00000

beverages(nonalcoholic) :

0.20000

1.00000

beverages(alcoholic) :

breakfast cereal :

0.20000

1.00000

cheese :

0.40000

2.00000

chewing gum :

condiments / relishes :

0.20000

1.00000

confectionery froastings :

0.40000

2.00000

egg products :

fats / oils :

0.20000

1.00000

fish products :

0.10000

0.40000

frozen dairy :

0.40000

2.00000

fruit ices :

0.40000

2.00000

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

imitation dairy :

0.40000

2.00000

instant coffee / tea :

jams / jellies :

meat products :

0.10000

0.40000

milk products :

0.40000

2.00000

nut products :

other grains :

0.20000

1.00000

poultry :

0.10000

0.40000

processed fruits :

0.30000

1.50000

processed vegetables :

0.30000

1.50000

reconstituted vegetables :

seasonings / flavors :

0.20000

1.00000

snack foods :

soft candy :

soups :

0.20000

1.00000

sugar substitutes :

sweet sauces :

0.20000

1.00000

safety references :

EPI System :

view

Toxicology Citations :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 3334

WGK Germany :

2-methoxybenzenethiol

(EINECS) number :

230-605-7

RTECS :

DC1790000 for 7217-59-6

chemidplus :

007217596

EPA Substance Registry Services :

7217-59-6

references :

2-methoxybenzenethiol

fl. number :

12.139

jecfa number :

1666

NIST Chemistry WebBook :

4136137556

pubchem :

166208

other :

reference :

Luebke, William tgsc, (2006)¹

reference :

Luebke, William tgsc, (2006)²

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
2-	mercaptoanisole
2-	methoxybenzene thiol
ortho-	methoxybenzene thiol
2-	methoxybenzene-1-thiol
2-	methoxybenzenethiol
2-	methoxythiophenol
ortho-	methoxythiophenol
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
iso	propyl disulfide
iso	propyl 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

information only - not sold by The Good Scents Company.

Top of Page The Good Scents Company Home