pyrazinyl ethane thiol 35250-53-4

pyrazinyl ethane thiol

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IUPAC name :

2-pyrazin-2-ylethanethiol

InChI :

InChI=1/C6H8N2S/c9-4-1-6-5-7-2-3-8-6/h2-3,5,9H,1,4H2

InChIKey :

QKVWBAMZPUHCMO-UHFFFAOYAG

SMILES :

C1=CN=C(C=N1)CCS

cas number :	35250-53-4
beilstein number :	0774932
fema number :	3230
coe number :	2285
jecfa number :	795
fl. number :	14.031
molar refractivity :	39.88 ± 0.3 cm3
parachor :	324.0 ± 4.0 cm3
index of refraction :	1.563 ± 0.02
surface tension :	48.5 ± 3.0 dyne/cm
density :	1.142 ± 0.06 g/cm3
polarizability :	15.81 ± 0.5 10-24cm3
XlogP :	0.80
molecular weight :	140.2061200
formula :	C6 H8 N2 S
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Endeavour :

2-Pyrazine ethanethiol
98%

Frutarom :

PYRAZINE ETHANETHIOL
≥98.00%, Kosher
Odor: Beefy, Fatty, Lamb, Meaty, Pork

Penta :

pyrazine ethanethiol

Sigma-Aldrich-SAFC :

Pyrazineethanethiol
≥97%, Kosher, FG
Odor: meaty; sulfurous; vegetable

Tokyo Chemical Industry :

(2-Mercaptoethyl)pyrazine
>98.0%(GC)

Treatt :

2-Pyrazineethanethiol

organoleptics :

odor type :

sulfurous

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in propylene glycol.

sulfury meaty cabbage

properties :

appearence :

colorless to yellow clear liquid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.15000 to 1.16000 @ 25.00 °C.

pounds per gallon - calc. :

9.569 to 9.652

refractive index :

1.56300 to 1.57000 @ 20.00 °C.

boiling point :

105.00 to 110.00 °C. @ 20.00 mm Hg

boiling point :

278.00 to 280.00 °C. @ 760.00 mm Hg

vapor density :

4.8 ( Air = 1 )

flash point :

> 230.00 °F. TCC ( > 110.00 °C. )

logP (o/w) :

0.38

safety :

most important hazard(s) :

T - Toxic.

R 25 - Toxic if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
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.

Oral Toxicity(LD50) :

Gavage-Rat 158.00 mg/kg
(Posternak et al., 1975)

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

0.13 (μg/capita/day)

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

1.00 (μg/capita/day)

recommendation for pyrazinyl ethane thiol usage levels up to :

not for fragrance use.

recommendation for pyrazinyl ethane thiol usage levels up to :

2.0000 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

National Toxicology Program :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 2810

WGK Germany :

2-pyrazin-2-ylethanethiol

RTECS :

KJ2551000 for 35250-53-4

chemidplus :

035250534

EPA Substance Registry Services :

35250-53-4

references :

2-pyrazin-2-ylethanethiol

fl. number :

14.031

jecfa number :

795

pubchem :

198349

other :

synonyms :
2-	pyrazin-2-ylethanethiol
	pyrazine ethane thiol
2-	pyrazine ethane thiol
	pyrazine ethanethiol
2-	pyrazine ethanethiol
2-	pyrazinyl ethane thiol
	pyrazinyl ethanethiol
2-	pyrazinyl ethanethiol
2-	pyrazinyl ethyl mercaptan
soluble in :
	alcohol
	water, slightly
insoluble in :
	water
(odor and/or flavor) blends with :
2-	acetyl-2-thiazoline
3-	acetyl-2,5-dimethyl thiophene
4-	allyl-2,6-dimethoxyphenol
	benzyl methyl sulfide
1,3-	butane dithiol
2,3-	butane dithiol
2-	butenoic acid
2-iso	butyl-4,5-dimethyl oxazole
	coffee difuran
	difurfuryl sulfide
2,5-	dihydroxy-1,4-dithiane
2,5-	dimethyl furan
2,5-	dimethyl pyrazine
2,6-	dimethyl pyrazine
2,4-	dimethyl thiazole
2,6-	dimethyl thiophenol
6,8-	dimethyl-2-nonanol
4,5-	dimethyl-2-propyl oxazole
2,5-	dimethyl-3-furan thiol
2,4-	dimethyl-3-oxazoline
2,5-	dimethyl-4-ethyl oxazole
	ethyl 4-(acetyl thio) butyrate
	fish thiol
	furfuryl thioacetate
	hexyl mercaptan
	meaty dithiane
3-	mercapto-2-butanone
2-	mercaptopropionic acid
	methyl 2-methyl-3-furyl disulfide
2-	methyl 3-(methyl thio) furan 10% in triacetin
4-	methyl 4-mercaptopentan-2-one 1% in pg
4-	methyl nonanoic acid
3-	methyl-2-butane thiol
2-	methyl-3-furyl tetrasulfide
S-(2-	methyl-3-furyl) ethane thioate
2-	methyl-3-tetrahydrofuran thiol
1,9-	nonane dithiol
	nutty thiazole
2,4-	octadien-1-ol
1,8-	octane dithiol
4-	penten-1-yl acetate
1,3-	propane dithiol
iso	propyl disulfide
iso	propyl mercaptan
2-	pyridinyl methane thiol
	roasted butanol
	sulfurol
	sulfuryl acetate
1-(2-	thienyl) butanone
ortho-	thiocresol
2,4,5-	trimethyl oxazole
(odor and/or flavor) used in :
	beef
	cabbage
	chicken
	coffee
	pork
natural occurrence in :
	not found in nature

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