2-acetyl-3,5(or 6)-dimethyl pyrazine
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IUPAC name :1-(3,5-dimethylpyrazin-1-ium-1-yl)ethanone
InChI :InChI=1/C8H11N2O/c1-6-4-10(8(3)11)5-7(2)9-6/h4-5H,1-3H3/q+1
InChIKey :SRLOIFIDNDAVFM-UHFFFAOYAH
SMILES :CC1=C[N+](=CC(=N1)C)C(=O)C
cas number :72797-17-2
(EINECS) number :276-848-2
fema number :3327
coe number :11294
jecfa number :786
molar refractivity :43.18 ± 0.3 cm3
parachor :348.3 ± 6.0 cm3
index of refraction :1.497 ± 0.02
surface tension :31.2 ± 3.0 dyne/cm
density :1.032 ± 0.06 g/cm3
polarizability :17.11 ± 0.5 10-24cm3
XlogP : 0.60
XlogP3-AA : 0.60
molecular weight : 150.1778000 (IUPAC)
formula :C8 H10 N2 O
NMR Predictor :Predict
 
 
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
 
 
IUPAC name :1-(3,6-dimethylpyrazin-2-yl)ethanone
InChI :InChI=1/C8H10N2O/c1-5-4-9-6(2)8(10-5)7(3)11/h4H,1-3H3
InChIKey : JFUVDGXTDCVGHA-UHFFFAOYAS
SMILES :CC1=CN=C(C(=N1)C(=O)C)C
cas number :54300-09-3
(EINECS) number :259-077-6
fema number :3327
coe number :11294
jecfa number :786
molar refractivity :42.11 ± 0.3 cm3
parachor :356.0 ± 1.0 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 :
Fontarome :2-ACETYL-3, 5 (or 6) DIMETHYLPYRAZINE
Odor:  Hemp oil, roast
Jiangyin Healthway :2-Acetyl-3,5(or 6)-dimethyl pyrazine
SAFC Global® :2-Acetyl-3,5(6)-dimethylpyrazine
≥98%, Kosher, mixture
Odor:  caramel; hazelnut
Treatt :2-Acetyl-3(5/6)dimethylpyrazine
organoleptics :
odor type :nutty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in dipropylene glycol.  		roasted hazelnut caramel popcorn
properties :
appearence :yellow semi-solid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.03800 to 1.07300 @ 25.00 °C.
pounds per gallon - calc. : 8.637 to 8.928
specific gravity :1.07000 to 1.07500 @ 25.00 °C.
pounds per gallon - calc. : 8.903 to 8.945
refractive index :1.51000 to 1.52000 @ 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 :
Category :flavor and fragrance agents
 
recommendation for 2-acetyl-3,5(or 6)-dimethyl pyrazine fragrance usage levels up to :
  0.1000 % in the fragrance concentrate.
recommendation for 2-acetyl-3,5(or 6)-dimethyl pyrazine flavor usage levels up to :
  5.0000 ppm in the flavor.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
1-(3,5-dimethylpyrazin-1-ium-1-yl)ethanone
(EINECS) number :276-848-2
chemidplus :072797172
EPA Substance Registry Services :72797-17-2
 
 
 
1-(3,5-dimethylpyrazin-2-yl)ethanone
(EINECS) number :259-076-0
chemidplus :054300082
EPA Substance Registry Services :54300-08-2
 
 
 
1-(3,6-dimethylpyrazin-2-yl)ethanone
(EINECS) number :259-077-6
chemidplus :054300093
EPA Substance Registry Services :54300-09-3
references :
 
1-(3,5-dimethylpyrazin-1-ium-1-yl)ethanone
jecfa number :786
pubchem :3888431
 
1-(3,5-dimethylpyrazin-2-yl)ethanone
fl. number :14.055
jecfa number :786
NIST Chemistry WebBook :1299009158
pubchem :682129
 
1-(3,6-dimethylpyrazin-2-yl)ethanone
jecfa number :786
NIST Chemistry WebBook :2980072633
pubchem :682130
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
1-(3,?-dimethyl pyrazinyl) ethan-1-one
1-(3,5(or 6)-dimethyl pyrazinyl) ethan-1-one
1-(3,5(or 6)-dimethyl pyrazinyl) ethanone
1-(3,5-dimethylpyrazin-1-ium-1-yl)ethanone
Similar Products:    note
2-acetyl-3,6-dimethyl pyrazine
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetoinFL/FR
2-acetyl furanFL/FR
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
2-acetyl pyridineFL/FR
3-acetyl pyridineFL/FR
 acetyl pyrrolineFL
2-acetyl thiazoleFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3-ethyl pyrazineFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,4,5,6-tetrahydropyridineFL
2-acetyl-5-methyl pyrazineFL
2-acetyl-6-methyl pyrazineFL
 allyl 2-furoateFL
isoamyl 3-(2-furan) propionateFL/FR
 benzyl disulfideFL
 butyl levulinateFL/FR
2-oxobutyric acidFL
gamma-butyrolactoneFL/FR
 caramel dioneFL
 caramel furanoneFL
 caramel pentadioneFL/FR
 cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL
 cyclohexyl acetic acidFL
 diacetylFL
2,5-diethyl tetrahydrofuranFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
 dimethyl dihydrocyclopentapyrazineFL
2,3-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
2,6-dimethyl pyrazineFL/FR
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2-ethoxythiazoleFL
 ethyl (E)-crotonateFL/FR
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl cyclopentenoloneFL/FR
 ethyl dimethyl pyrazineFL
 ethyl maltolFL/FR
 ethyl pyruvateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl vanillinFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
 fenugreek absoluteFL/FR
 filbert heptenoneFL/FR
 furfuryl acetoneFL
 furfuryl alcoholFL
 furfuryl octanoateFL
 furfuryl thioacetateFL
 furfuryl valerateFL
 geranyl crotonateFR
gamma-heptalactoneFL/FR
2-heptyl furanFL
3,4-hexane dioneFL/FR
5-hydroxymethyl furfuralFL
 immortelle absoluteFL/FR
 maltolFL/FR
 maltyl propionateFL/FR
 mango furanoneFL
 maple furanoneFL/FR
 maple lactoneFL/FR
 menthone lactoneFL/FR
 mesitene lactoneFR
 methyl 2-(methyl thio) acetateFL
3-methyl butyl 2-furyl butyrateFL
 methyl cyclopentenoloneFL/FR
5-methyl furfuralFL/FR
4-methyl-2,6-dimethoxyphenolFL/FR
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 peanut oxazoleFL
2-pentanoyl furanFL
 popcorn pyrimidineFL/FR
2-propionyl pyrroleFL
2-propionyl thiazoleFL
2-propionyl-2-thiazolineFL
 rosefuranFL/FR
 shoyu furanoneFL/FR
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
 tetrahydrofurfuryl acetateFL/FR
 tetrahydrofurfuryl alcoholFL/FR
2-thiophene thiolFL
 toffee furanoneFL/FR
 tonka bean absoluteFR
 tonka bean resinoidFR
(E,E)-2,4-undecadien-1-alFL
2,4-undecadien-1-alFL
isovaleraldehyde propylene glycol acetalFL/FR
 vanilla oleoresinFL/FR
 vanillyl isobutyrateFL/FR
potential uses :
 butterscotch
 caramel
 nut hazelnut
 popcorn
 toffee
natural occurrence in :    note
 coffee  

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