2-acetyl-3,5-dimethyl pyrazine
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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%
Hofmen :2-Acetyl-3,5-dimethylpyrazine
Nanjing :2-acetyl-3,5-dimethylpyrazine
orders in chinese.
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.  		nutty roasted hazelnut
properties :
appearence :yellow semi-solid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
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 :
Category :flavor and fragrance agents
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 fragrance usage levels up to :
  0.1000 % in the fragrance concentrate.
recommendation for 2-acetyl-3,5-dimethyl pyrazine flavor 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 :3
 
 
 
 
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
Similar Products:    note
1-(3,6-dimethylpyrazin-2-yl)ethanone
soluble in :
 alcohol
insoluble in :
 water
stability :
potential blenders :    note
2-acetyl pyrazineFL/FR
 acetyl pyrrolineFL
2-acetyl thiazoleFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
2-isobutyl-3,(5 and 6)-dimethyl pyrazineFL/FR
 butyrophenoneFL/FR
 cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
2,5-dimethyl pyrazineFL/FR
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
4,5-dimethyl-2-ethyl thiazoleFL
2-ethoxythiazoleFL
 filbert heptenoneFL/FR
 furfuryl thioacetateFL
 hazelnut oleoresinFL
 hazelnut pyrazineFL/FR
2-heptyl furanFL
2-methoxy-3-methyl pyrazineFL/FR
 methyl 2-(methyl thio) acetateFL
2-methyl-3-pentenoic acidFL/FR
2-methyl-3,(5 or 6)-ethoxypyrazineFL
 nonyl isovalerateFL/FR
 nutty quinoxalineFL/FR
2-propionyl-2-thiazolineFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
2,4,5-trimethyl thiazoleFL/FR
potential uses :
 butterscotch
 caramel
 nut hazelnut
 popcorn
 toffee
natural occurrence in :    note
 coffee  

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