isopropyl pyrazine 29460-90-0

isopropyl pyrazine

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IUPAC name :

2-propan-2-ylpyrazine

InChI :

InChI=1/C7H10N2/c1-6(2)7-5-8-3-4-9-7/h3-6H,1-2H3

InChIKey :

GIMBKDZNMKTZMG-UHFFFAOYAV

SMILES :

CC(C)C1=NC=CN=C1

cas number :	29460-90-0
(EINECS) number :	249-646-7
fema number :	3940
coe number :	11343
jecfa number :	764
fl. number :	14.123
molar refractivity :	36.62 ± 0.3 cm3
parachor :	310.6 ± 4.0 cm3
index of refraction :	1.493 ± 0.02
surface tension :	36.9 ± 3.0 dyne/cm
density :	0.969 ± 0.06 g/cm3
polarizability :	14.51 ± 0.5 10-24cm3
XlogP :	0.90
molecular weight :	122.1677000
formula :	C7 H10 N2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Penta :

2-isopropyl pyrazine

organoleptics :

odor type :

minty

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in dipropylene glycol.

minty green nutty honey

properties :

appearence :

colorless to pale yellow clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.96700 to 0.97200 @ 25.00 °C.

pounds per gallon - calc. :

8.046 to 8.088

refractive index :

1.48600 to 1.49600 @ 20.00 °C.

boiling point :

70.00 °C. @ 20.00 mm Hg

boiling point :

169.00 to 170.00 °C. @ 760.00 mm Hg

vapor pressure :

2.01000 mm/Hg @ 25.00 °C.

flash point :

144.00 °F. TCC ( 62.22 °C. )

logP (o/w) :

1.06

safety :

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) :

0.12 (μg/capita/day)

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

0.10 (μg/capita/day)

recommendation for isopropyl pyrazine usage levels up to :

not for fragrance use.

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

2-propan-2-ylpyrazine

(EINECS) number :

249-646-7

chemidplus :

029460900

EPA Substance Registry Services :

29460-90-0

references :

2-propan-2-ylpyrazine

fl. number :

14.123

jecfa number :

764

NIST Chemistry WebBook :

2243232961

pubchem :

176319

other :

synonyms :
(1-	methyl ethyl) pyrazine
2-	propan-2-ylpyrazine
2-iso	propyl pyrazine
2-iso	propylpyrazine
soluble in :
	alcohol
	water
(odor and/or flavor) blends with :
	acetal
	basil oleoresin sweet
	buchu mercaptan
	cyclohexyl propanol
2-	cyclopentyl cyclopentanone
2,5-	diethyl-4-methyl thiazole
2,3-	dimethyl pyrazine
	ethyl salicylate
2-	ethyl-4-methyl thiazole
2'-	methyl acetophenone
2-	methyl pyrazine
	methyl salicylate
4-	methyl thiazole
	nonyl benzoate
	ocimene quintoxide
iso	propyl tiglate
iso	pulegyl formate
	shoyu pyrazine
(odor and/or flavor) used in :
	green
	herbal
	lavender
	mint
	peppermint
natural occurrence in :
	not found in nature

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