pyrazine 290-37-9

pyrazine

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IUPAC name :

pyrazine

InChI :

InChI=1/C4H4N2/c1-2-6-4-3-5-1/h1-4H

InChIKey :

KYQCOXFCLRTKLS-UHFFFAOYAV

SMILES :

C1=CN=CC=N1

cas number :	290-37-9
(EINECS) number :	206-027-6
beilstein number :	0103905
fema number :	4015
coe number :	11363
jecfa number :	951
fl. number :	14.144
molar refractivity :	22.43 ± 0.3 cm3
parachor :	195.5 ± 4.0 cm3
index of refraction :	1.503 ± 0.02
surface tension :	44.1 ± 3.0 dyne/cm
density :	1.055 ± 0.06 g/cm3
polarizability :	8.89 ± 0.5 10-24cm3
molecular weight :	80.0879600
formula :	C4 H4 N2
BioActivity Analysis :	471443
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Penta :

pyrazine

Sigma-Aldrich-SAFC :

Pyrazine
Kosher

Tokyo Chemical Industry :

Pyrazine
>98.0%(GC)

organoleptics :

odor type :

nutty

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in propylene glycol.

pungent sweet corn like roasted hazelnut barly

properties :

appearence :

colorless white crystalline waxy solid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

melting point :

53.00 to 56.00 °C. @ 760.00 mm Hg

boiling point :

115.00 to 116.00 °C. @ 760.00 mm Hg

flash point :

132.00 °F. TCC ( 55.56 °C. )

logP (o/w) :

-0.26

safety :

most important hazard(s) :

Xi - Irritant

R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 22 - Do not breath dust.
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) :

Intraperitoneal-Mouse 2730.00 mg/kg
Progress in Biochemical Pharmacology. Vol. 1, Pg. 542, 1965.

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

0.024 (μg/capita/day)

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

0.20 (μg/capita/day)

recommendation for pyrazine 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 :

1.00000

5.00000

beverages(nonalcoholic) :

0.30000

1.50000

beverages(alcoholic) :

0.60000

3.00000

breakfast cereal :

cheese :

chewing gum :

condiments / relishes :

confectionery froastings :

0.60000

3.00000

egg products :

fats / oils :

fish products :

frozen dairy :

0.60000

3.00000

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

1.00000

5.00000

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

milk products :

0.30000

1.50000

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

snack foods :

soft candy :

1.00000

5.00000

soups :

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

Chemical Carcinogenesis Research Information System :

Env. Mutagen Info. Center :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 1325

WGK Germany :

pyrazine

(EINECS) number :

206-027-6

RTECS :

UQ2015000 for 290-37-9

chemidplus :

000290379

EPA Substance Registry Services :

290-37-9

dtp/nci :

400221

references :

pyrazine

fl. number :

14.144

jecfa number :

951

NIST Chemistry WebBook :

3042986883

pubchem :

152453

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
1,4-	diazabenzene
1,4-	diazine
para	diazine
para-	diazine
soluble in :
	alcohol
	water, 218000 mg/L @ 25C
(odor and/or flavor) blends with :
2-	acetyl pyrazine
2-	acetyl pyridine
3-	acetyl pyridine
2-	acetyl thiazole
2-	acetyl-2-thiazoline
2-	acetyl-3-ethyl pyrazine
2-	acetyl-3,5-dimethyl pyrazine
2-	acetyl-3,5(or 6)-dimethyl pyrazine
2-	acetyl-5-methyl pyrazine
2-	acetyl-6-methyl pyrazine
	acorn acetate
2-iso	butyl-3,(5 and 6)-dimethyl pyrazine
	butyrophenone
2,5-	diethyl-3-methyl pyrazine
	dimethyl sulfide
4,5-	dimethyl-2-ethyl thiazole
	ethyl dimethyl pyrazine
	filbert pyrazine
	geranyl crotonate
	hazelnut notes
	hazelnut oleoresin
	hazelnut pyrazine
2-	methoxy-3-methyl pyrazine
2-	methyl piperidine
5-	methyl quinoxaline
2-	methyl-3-pentenoic acid
2-	methyl-3,(5 or 6)-ethoxypyrazine
	nonyl isovalerate
	nutty quinoxaline
	popcorn pyrimidine
2-	propionyl pyrrole
2-	propionyl thiazole
2,4,5-	trimethyl thiazole
	yeast thiazoline
(odor and/or flavor) used in :
	barley
	corn
	nut hazelnut
natural occurrence in :
data page	lavender oil spike spain @ 0.002%

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