2-acetyl-3,5-dimethyl pyrazine 54300-08-2

2-acetyl-3,5-dimethyl pyrazine

Suppliers organoleptics properties safety references FEMA Index Home Page

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

IUPAC name :

1-(3,5-dimethylpyrazin-2-yl)ethanone

InChI :

InChI=1/C8H10N2O/c1-5-4-9-8(7(3)11)6(2)10-5/h4H,1-3H3

InChIKey :

UCGOSAWBWFUKDT-UHFFFAOYAV

SMILES :

CC1=CN=C(C(=N1)C)C(=O)C

cas number :	54300-08-2
(EINECS) number :	259-076-0
fema number :	3327
coe number :	11294
jecfa number :	786
fl. number :	14.055
molar refractivity :	42.11 ± 0.3 cm3
parachor :	356.0 ± 4.0 cm3
index of refraction :	1.513 ± 0.02
surface tension :	41.8 ± 3.0 dyne/cm
density :	1.073 ± 0.06 g/cm3
polarizability :	16.69 ± 0.5 10-24cm3
XlogP :	0.60
XlogP3-AA :	0.60
molecular weight :	150.1778000 (IUPAC)
formula :	C8 H10 N2 O
NMR Predictor :	Predict

export tariff code :

2933.90

fda reg :

unspecified

Suppliers :

Endeavour :

2-Acetyl-3,5-dimethylpyrazine
99%

Nanjing :

2-acetyl-3,5-dimethylpyrazine

Penta :

2-acetyl-3,5,6-dimethyl pyrazine

organoleptics :

odor type :

nutty

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in propylene glycol.

roasted hazelnut

properties :

appearence :

yellow semi-solid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.03800 to 1.07300 @ 25.00 °C.

pounds per gallon - calc. :

8.637 to 8.928

refractive index :

1.51700 @ 20.00 °C.

boiling point :

70.00 °C. @ 7.00 mm Hg

vapor pressure :

3.00000 mm/Hg @ 20.00 °C.

flash point :

195.00 °F. TCC ( 90.56 °C. )

logP (o/w) :

1.08

safety :

most important hazard(s) :

Xi - Irritant

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 :

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

0.97 (μg/capita/day)

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

1.00 (μg/capita/day)

recommendation for 2-acetyl-3,5-dimethyl pyrazine usage levels up to :

0.1000 % in the fragrance concentrate.

recommendation for 2-acetyl-3,5-dimethyl pyrazine usage levels up to :

5.0000 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 :

1-(3,5-dimethylpyrazin-2-yl)ethanone

(EINECS) number :

259-076-0

chemidplus :

054300082

EPA Substance Registry Services :

54300-08-2

references :

1-(3,5-dimethylpyrazin-2-yl)ethanone

fl. number :

14.055

jecfa number :

786

NIST Chemistry WebBook :

1299009158

pubchem :

682129

other :

VCF-Online:

VCF Volatile Compounds in Food

FDA Everything Added to Food in the United States (EAFUS)

View

synonyms :
1-(3,5-	dimethyl pyrazin-2-yl) ethanone
1-(3,5-	dimethyl pyrazinyl) ethan-1-one
1-(3,5-	dimethyl pyrazinyl) ethanone
1-(3,5-	dimethylpyrazin-2-yl)ethanone
soluble in :
	alcohol
insoluble in :
	water
stability :
(odor and/or flavor) blends with :
2-	acetyl pyrazine
	acetyl pyrroline
2-	acetyl thiazole
2-	acetyl-3-methyl pyrazine
2-	acetyl-3,5(or 6)-dimethyl pyrazine
2-iso	butyl-3,(5 and 6)-dimethyl pyrazine
	butyrophenone
	cocoa pyrazine
3,6-	cocoa pyrazine
2,5-	diethyl-3-methyl pyrazine
6,7-	dihydro-2,3-dimethyl-5H-cyclopentapyrazine
	dimethyl dihydrocyclopentapyrazine
2,5-	dimethyl pyrazine
2,5-	dimethyl thiazole
4,5-	dimethyl thiazole
4,5-	dimethyl-2-ethyl thiazole
2-	ethoxythiazole
	filbert heptenone
	furfuryl thioacetate
	hazelnut oleoresin
	hazelnut pyrazine
2-	heptyl furan
2-	methoxy-3-methyl pyrazine
	methyl 2-(methyl thio) acetate
2-	methyl-3-pentenoic acid
2-	methyl-3,(5 or 6)-ethoxypyrazine
	nonyl isovalerate
	nutty quinoxaline
2-	propionyl-2-thiazoline
	sulfuryl butyrate
	sulfuryl decanoate
	sulfuryl formate
	sulfuryl hexanoate
	sulfuryl isobutyrate
	sulfuryl octanoate
	sulfuryl propionate
2,4,5-	trimethyl thiazole
(odor and/or flavor) used in :
	butterscotch
	caramel
	nut hazelnut
	popcorn
	toffee
natural occurrence in :
	coffee

information only - not sold by The Good Scents Company.

Top of Page The Good Scents Company Home