chocolate pyrazine B

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IUPAC name :

2-methoxy-3-methylpyrazine

InChI :

InChI=1/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3

InChIKey :

VKJIAEQRKBQLLA-UHFFFAOYAT

SMILES :

CC1=NC=CN=C1OC

cas number :	2847-30-5
(EINECS) number :	220-651-6
fema number :	3183
coe number :	2266
jecfa number :	788
fl. number :	14.126
molar refractivity :	33.93 ± 0.3 cm3
parachor :	289.8 ± 4.0 cm3
index of refraction :	1.496 ± 0.02
surface tension :	38.7 ± 3.0 dyne/cm
density :	1.068 ± 0.06 g/cm3
polarizability :	13.45 ± 0.5 10-24cm3
XlogP :	1.00
molecular weight :	124.1405200
formula :	C6 H8 N2 O
NMR Predictor :	Predict

IUPAC name :

2-methoxy-6-methylpyrazine

InChI :

InChI=1/C6H8N2O/c1-5-3-7-4-6(8-5)9-2/h3-4H,1-2H3

InChIKey :

MYDVJLOKNIAHPH-UHFFFAOYAN

SMILES :

CC1=CN=CC(=N1)OC

cas number :	2882-21-5
(EINECS) number :	220-737-3
fema number :	3183
coe number :	2266
fl. number :	14.025
molar refractivity :	33.93 ± 0.3 cm3
parachor :	289.8 ± 4.0 cm3
index of refraction :	1.496 ± 0.02
surface tension :	38.7 ± 3.0 dyne/cm
density :	1.068 ± 0.06 g/cm3
polarizability :	13.45 ± 0.5 10-24cm3
XlogP :	1.00
molecular weight :	124.1405200
formula :	C6 H8 N2 O
NMR Predictor :	Predict

export tariff code :

2933.90

fda reg :

unspecified

organoleptics :

odor type :

chocolate

properties :

appearence :

colorless clear liquid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

Yes

vapor pressure :

0.58400 mm/Hg @ 25.00 °C.

vapor density :

4.2 ( Air = 1 )

flash point :

130.00 °F. TCC ( 54.44 °C. )

logP (o/w) :

1.24

safety :

most important hazard(s) :

Xn - Harmful.

R 10 - Flammable.
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 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) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for chocolate pyrazine B usage levels up to :

not for fragrance use.

recommendation for chocolate pyrazine B usage levels up to :

5.0000 ppm in the flavor.

safety references :

EPI System :

view

Env. Mutagen Info. Center :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 1993

WGK Germany :

2-methoxy-3-methylpyrazine

(EINECS) number :

220-651-6

chemidplus :

002847305

EPA Substance Registry Services :

2847-30-5

2-methoxy-6-methylpyrazine

(EINECS) number :

220-737-3

chemidplus :

002882215

EPA Substance Registry Services :

2882-21-5

references :

2-methoxy-3-methylpyrazine

fl. number :

14.126

jecfa number :

788

NIST Chemistry WebBook :

1605373978

pubchem :

161011

2-methoxy-6-methylpyrazine

fl. number :

14.025

NIST Chemistry WebBook :

178627740

pubchem :

10517161

Cosmetics :

Cosmetic uses :

perfuming agents

other :

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
2-	methoxy-(3,6)-methyl pyrazine
2-	methoxy-3-methyl pyrazine + 2-methoxy-6-methyl pyrazine
2-	methoxy-3-methyl pyrazine + 5-methoxy-3-methyl pyrazine
2-	methoxy-3-methylpyrazine
2--3-	methoxymethyl pyrazine
soluble in :
	alcohol
	water, 8460 mg/L @ 25C
stability :
(odor and/or flavor) blends with :
	acetophenone
	acetyl acetaldehyde dimethyl acetal
2-	acetyl furan
	acetyl propionyl
2-	acetyl pyrazine
2-	acetyl pyridine
3-	acetyl pyridine
2-	acetyl pyrrole
	acetyl pyrroline
2-	acetyl thiazole
2-	acetyl-2-thiazoline
5-	acetyl-2,3-dihydro-1,4-thiazine
3-	acetyl-2,5-dimethyl furan
2-	acetyl-3-ethyl pyrazine
2-	acetyl-3-methyl pyrazine
2-	acetyl-3,5-dimethyl pyrazine
2-	acetyl-5-methyl furan
	allspice oil
	allyl 2-ethyl butyrate
	almond oil bitter
iso	amyl benzoate
alpha-	amyl cinnamaldehyde
	amyl cinnamate
iso	amyl cinnamate
alpha-	amyl cinnamyl acetate
iso	amyl nonanoate
	amyl phenyl acetate
iso	amyl phenyl acetate
	amyl salicylate
	amyris wood oil
alpha-	angelica lactone
ortho-	anisaldehyde
para-	anisaldehyde
para-	anisyl alcohol
	beeswax absolute
	benzaldehyde
	benzaldehyde / methyl anthranilate schiff's base
	benzaldehyde dimethyl acetal
	benzaldehyde glycrol acetal
2-	benzofuran carboxaldehyde
	benzoin resinoid
	benzothiazole
	benzyl cinnamate
	benzyl isoeugenol
	benzyl salicylate
	bois de rose oil
	bornyl isobutyrate
	boronia butenal
	bread thiophene
	butyl 2-methyl butyrate
iso	butyl benzoate
	butyl cinnamate
iso	butyl cinnamate
	butyl phenyl acetate
iso	butyl phenyl acetate
iso	butyl quinoline
iso	butyl quinoline
2-iso	butyl-3,(5 and 6)-dimethyl pyrazine
2(4)-iso	butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
	butyraldehyde
	butyramide
	butyroin
	caramel furanone
	carnation absolute
	cassia bark oil
	cherry laurel oil
	chocolate notes
	cinnamyl alcohol
	clary sage oil
	clove bud oil
	cocoa butenal
	cocoa hexenal
	cocoa oleoresin
	cocoa pentenal
	cocoa propanal
	cocoa pyrazine
3,6-	cocoa pyrazine
	coconut absolute
	coffee furanone
	coumane
	coumarin
para-	cresyl laurate
	cyclohexyl cinnamate
	cyclohexyl methyl pyrazine
(E,E)-2,4-	decadien-1-al
gamma-	decalactone
	dibenzyl ketone
2,5-	diethyl thiazole
3,5-	diethyl-2-methyl pyrazine
2,5-	diethyl-3-methyl pyrazine
2,5-	diethyl-4-methyl thiazole
	difurfuryl ether
6,7-	dihydro-2,3-dimethyl-5H-cyclopentapyrazine
	dihydroxyacetophenone
	dimethyl anthranilate
2,4-	dimethyl benzaldehyde
	dimethyl dihydrocyclopentapyrazine
2,3-	dimethyl pyrazine
2,5-	dimethyl pyrazine
2,6-	dimethyl pyrazine
2,6-	dimethyl pyridine
2,5-	dimethyl thiazole
4,5-	dimethyl thiazole
2,5-	dimethyl thiophene
4,5-	dimethyl-2-ethyl thiazole
4,5-	dimethyl-2-ethyl-3-thiazoline
2,4-	dimethyl-5-vinyl thiazole
2-	ethoxythiazole
	ethyl 2-hydroxy-2-methyl butyrate
4-	ethyl benzaldehyde
2-	ethyl butyraldehyde
	ethyl cinnamate
2-	ethyl furan
4-	ethyl guaiacol
	ethyl maltol
	ethyl phenyl acetate
2-	ethyl pyrazine
	ethyl vanillin
	ethyl vanillin isobutyrate
1-	ethyl-2-acetyl pyrrole
5-	ethyl-2-methyl pyridine
5-	ethyl-2-thiophene carboxaldehyde
2-	ethyl-3-methoxypyrazine
2-	ethyl-3,5(6)-dimethyl pyrazine mixture
2-	ethyl-4-butanol
2-	ethyl-4-methyl thiazole
(Z+E)-5-	ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-	ethyl-4-methyl-2-(2-methyl propyl) thiazoline
	eugenol
	fenugreek oleoresin
	fenugreek resinoid
	filbert heptenone
	filbert pyrazine
	furfural
	furfuryl thioacetate
3-(2-	furyl) acrolein
	geranyl crotonate
laevo-	glutamine
	guaiacwood oil
	gurjun balsam oil
	hay absolute
	hazelnut notes
	hazelnut oleoresin
	hazelnut pyrazine
	heliotropin
(E,E)-2,4-	heptadien-1-ol
gamma-	heptalactone
2-	heptyl furan
2,4-	hexadien-1-ol
gamma-	hexalactone
3,4-	hexane dione
2-	hexen-1-al
(Z)-3-	hexen-1-yl salicylate
alpha-	hexyl cinnamaldehyde
2-	hexyl-5 or 6-keto-1,4-dioxane
	ho leaf oil
4-	hydroxybenzoic acid
	immortelle absolute
	labdanum resinoid
	maltol
	maraniol
	menthofuran
2-	methoxy-3-methyl pyrazine
2'-	methoxyacetophenone
2-	methoxypyrazine
	methyl 2-(methyl thio) acetate
	methyl acetophenone
2-	methyl anisole
para-	methyl anisole
	methyl benzoate
2-	methyl butyraldehyde
alpha-	methyl cinnamaldehyde
	methyl cinnamate
	methyl cyclopentenolone
	methyl dihydrojasmonate
	methyl ethoxypyrazine
2-	methyl furan
	methyl ionones
	methyl isoeugenol
	methyl phenyl acetate
2-	methyl pyrazine
2-	methyl quinoxaline
5-	methyl quinoxaline
4-	methyl salicylaldehyde
4-	methyl thiazole
2-	methyl thio-3,5 or 6-methyl pyrazine
2-(	methyl thio) acetaldehyde
	methyl valerate
3-	methyl-2-buten-1-al
2-	methyl-3-(methyl thio) pyrazine
2-	methyl-3-propyl pyrazine
2-	methyl-3,(5 or 6)-ethoxypyrazine
2-	methyl-5-isopropyl pyrazine
(E,E)-2,4-	nonadien-1-al
(E,Z)-2,6-	nonadien-1-yl acetate
gamma-	nonalactone
	nutmeg oil
	nutty cyclohexenone
	nutty quinoxaline
	nutty thiazole
	oakmoss absolute
	ocean propanal
	orris pyridine
	patchouli ethanone
	peanut dithiazine
	peanut oxazole
	pepper oil black
	peru balsam oil
	phenethyl octanoate
	phenethyl phenyl acetate
	phenyl acetaldehyde
	phenyl acetaldehyde diethyl acetal
	phenyl acetaldehyde diisobutyl acetal
	phenyl acetic acid
3-	phenyl propyl alcohol
	phenyl pyruvic acid
	popcorn pyrimidine
	powdery ketone
	prenyl benzoate
2-	propionyl thiazole
2-	propionyl-2-thiazoline
	propyl benzoate
iso	propyl formate
iso	propyl pyrazine
2-	propyl pyridine
	raspberry ketone
	raspberry ketone acetate
	raspberry ketone methyl ether
	saffron pyranone
	sandalwood oil
	santall
	shoyu pyrazine
	strawberry furanone
	sulfuryl butyrate
	sulfuryl decanoate
	sulfuryl formate
	sulfuryl hexanoate
	sulfuryl isobutyrate
	sulfuryl octanoate
	sulfuryl propionate
alpha-	terpineol
	tetrahydrolinalool
2,3,5,6-	tetramethyl pyrazine
(E)-	tiglic aldehyde
	tobacco butenal
	tobacco dodecane
	tolualdehyde glyceryl acetal
	tonka bean absolute
	tonka bean resinoid
	tricyclodecenyl isobutyrate
2,3,5-	trimethyl pyrazine
2,4,5-	trimethyl thiazole
	tropical thiazole
	valeraldehyde
	valeraldehyde dibutyl acetal
	valeraldehyde propylene glycol acetal
gamma-	valerolactone
	vanilla absolute
	vanillin
	vanillyl acetate
	vanillyl isobutyrate
	verymoss
	vetiver oil
2-	vinyl pyrazine
	vinyl sulfurol
	whiskey lactone
	woody acetate
	woody amylene
	ylang ylang oil
(odor and/or flavor) used in :
	almond
	caramel
	chocolate cacao
	chocolate cocoa
	coffee
	nut
	nut almond
	nut hazelnut
	nut peanut
natural occurrence in :
	found in nature

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