2-(methyl thio) ethanol 5271-38-5

2-(methyl thio) ethanol

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IUPAC name :

2-methylsulfanylethanol

InChI :

InChI=1/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3

InChIKey :

WBBPRCNXBQTYLF-UHFFFAOYAP

SMILES :

CSCCO

cas number :	5271-38-5
(EINECS) number :	226-090-3
beilstein number :	1731081
fema number :	4004
coe number :	12179
jecfa number :	1297
fl. number :	12.179
molar refractivity :	25.47 ± 0.3 cm3
parachor :	218.8 ± 4.0 cm3
index of refraction :	1.481 ± 0.02
surface tension :	35.7 ± 3.0 dyne/cm
density :	1.029 ± 0.06 g/cm3
polarizability :	10.10 ± 0.5 10-24cm3
XlogP :	0.50
molecular weight :	92.1600200
formula :	C3 H8 O S
BioActivity Analysis :	68630
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Endeavour :

2-(Methylthio)ethanol
99%

Penta :

2-(methylthio) ethanol

Sigma-Aldrich-SAFC :

2-(Methylthio)ethanol
≥99%

Treatt :

2-(Methylthio)ethanol

organoleptics :

odor type :

meaty

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in propylene glycol.

sulfurous meaty

properties :

appearence :

colorless to pale yellow clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.05500 to 1.06500 @ 20.00 °C.

pounds per gallon - calc. :

8.789 to 8.872

refractive index :

1.49000 to 1.49800 @ 20.00 °C.

boiling point :

169.00 to 171.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

flash point :

158.00 °F. TCC ( 70.00 °C. )

logP (o/w) :

0.09

safety :

most important hazard(s) :

None - None found.

S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Maximised Survey-derived Daily Intakes (MSDI-EU) :

0.85 (μg/capita/day)

Maximised Survey-derived Daily Intakes (MSDI-USA) :

0.90 (μg/capita/day)

recommendation for 2-(methyl thio) ethanol 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 : 20

average usual ppm

average maximum ppm

baked goods :

8.00000

16.00000

beverages(nonalcoholic) :

3.00000

6.00000

beverages(alcoholic) :

breakfast cereal :

cheese :

chewing gum :

condiments / relishes :

3.00000

6.00000

confectionery froastings :

egg products :

fats / oils :

fish products :

frozen dairy :

5.00000

10.00000

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

4.00000

8.00000

hard candy :

6.00000

10.00000

imitation dairy :

3.00000

6.00000

instant coffee / tea :

jams / jellies :

meat products :

3.00000

6.00000

milk products :

3.00000

6.00000

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

snack foods :

4.00000

8.00000

soft candy :

3.00000

6.00000

soups :

4.00000

8.00000

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...

EPI System :

view

Canada Domestic Sub. List :

Yes

WGK Germany :

2-methylsulfanylethanol

(EINECS) number :

226-090-3

chemidplus :

005271385

EPA Substance Registry Services :

5271-38-5

dtp/nci :

1902

references :

2-methylsulfanylethanol

fl. number :

12.179

jecfa number :

1297

NIST Chemistry WebBook :

1768798389

pubchem :

655934

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
2-	hydroxyethyl methyl sulfide
beta-	hydroxyethyl methyl sulfide
2-	methane sulfanyl ethanol
2-	methyl mercaptoethanol
beta-	methyl mercaptoethanol
2-(	methyl thio) ethan-1-ol
beta-(	methyl thio) ethanol
2-	methyl thioethanol
2-	methylsulfanylethanol
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
4-	acetyl-2-methyl pyrimidine
4-	allyl-2,6-dimethoxyphenol
4-	aminobutyric acid
	amyl mercaptan
	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
	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
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
	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
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
	thioguaiacol
	tyramine
(odor and/or flavor) used in :
	meat
natural occurrence in :
	passion fruit

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