2-mercaptomethyl pyrazine 59021-02-2

2-mercaptomethyl pyrazine

Suppliers organoleptics properties safety references FEMA Index Home Page

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

IUPAC name :

pyrazin-2-ylmethanethiol

InChI :

InChI=1/C5H6N2S/c8-4-5-3-6-1-2-7-5/h1-3,8H,4H2

InChIKey :

VQFGDOHENLRPFB-UHFFFAOYAP

SMILES :

C1=CN=C(C=N1)CS

cas number :	59021-02-2
beilstein number :	0878425
fema number :	3299
coe number :	11502
jecfa number :	794
fl. number :	14.053
molar refractivity :	35.24 ± 0.3 cm3
parachor :	284.2 ± 4.0 cm3
index of refraction :	1.577 ± 0.02
surface tension :	51.2 ± 3.0 dyne/cm
density :	1.187 ± 0.06 g/cm3
polarizability :	13.97 ± 0.5 10-24cm3
XlogP :	0.50
molecular weight :	126.1795400
formula :	C5 H6 N2 S
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Penta :

2-mercaptomethylpyrazine
10% in ethanol

organoleptics :

odor type :

caramellic

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in propylene glycol.

roasted in sugar syrup meaty

properties :

appearence :

colorless to yellow clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.14800 to 1.15600 @ 25.00 °C.

pounds per gallon - calc. :

9.553 to 9.619

refractive index :

1.54800 to 1.56000 @ 20.00 °C.

boiling point :

44.00 to 45.00 °C. @ 0.07 mm Hg

boiling point :

94.00 °C. @ 10.00 mm Hg

flash point :

140.00 °F. TCC ( 60.00 °C. )

logP (o/w) :

0.24

safety :

Oral Toxicity(LD50) :

Gavage-Rat   [sex: M,F]  2100.00  mg/kg
(Burdock & Ford, 1990b)

Oral-Rat    1700.00  mg/kg

Intraperitoneal-Mouse    100.00  mg/kg

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

0.012 (μg/capita/day)

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

0.01 (μg/capita/day)

recommendation for 2-mercaptomethyl pyrazine usage levels up to :

not for fragrance use.

recommendation for 2-mercaptomethyl pyrazine usage levels up to :

10.0000 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 :

pyrazin-2-ylmethanethiol

chemidplus :

059021022

EPA Substance Registry Services :

59021-02-2

references :

pyrazin-2-ylmethanethiol

fl. number :

14.053

jecfa number :

794

pubchem :

198657

other :

synonyms :
	pyrazin-2-yl methane thiol
	pyrazin-2-ylmethanethiol
	pyrazine methane thiol
	pyrazinyl methyl mercaptan
soluble in :
	alcohol
	water
(odor and/or flavor) blends with :
1,2-	butane dithiol
2,6-	dimethyl thiophenol
3,7-	dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
(Z+E)-2,5-	dimethyl-3-tetrahydrofuran thiol
(Z+E)-2,5-	dimethyl-3-thioacetoxytetrahydrofuran
2,5-	dimethyl-3-thiofuroyl furan
1,1-	ethane dithiol 1% in ethanol
(R,S)-2-	mercapto-3-butanol
2-	mercapto-3-pentanone
2-	methyl-1-methyl thio-2-butene
2-	methyl-3-(methyl thio) pyrazine
bis(2-	methyl-3-furyl) disulfide
S-(2-	methyl-3-furyl) ethane thioate
3-((2-	methyl-3-furyl)thio)-4-heptanone
	nutty thiazole
	propyl 2-mercaptopropionate
2-	pyridinyl methane thiol
	roasted butanol
	thialdine
(odor and/or flavor) used in :
	meat
	roasted
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

Top of Page The Good Scents Company Home