cyclohexyl methyl pyrazine
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IUPAC Name - 2-(cyclohexylmethyl)pyrazine
InChI - InChI=1/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h6-7,9-10H,1-5,8H2
InChIKey - DGJZDAIWCSVZBI-UHFFFAOYAM
SMILES - C1CCC(CC1)CC2=NC=CN=C2
CAS Number : 28217-92-7
(EINECS) Number :248-905-1
FEMA Number :3631
Molar Refractivity :53.01 ± 0.3 cm3 (est)
Parachor :439.6 ± 4.0 cm3 (est)
Index of Refraction :1.531 ± 0.02 (est)
Surface Tension :43.4 ± 3.0 dyne/cm (est)
Density :1.029 ± 0.06 g/cm3 (est)
Polarizability :21.01 ± 0.5 10-24cm3 (est)
XlogP : 3.00 (est)
Molecular Weight : 176.2581400 (IUPAC) (PT) (112)
Formula :C11 H16 N2
NMR Predictor :Predict
 
 
Category :flavoring agents
EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring :(Cyclohexylmethyl)pyrazine.
Fl@vouring Number : 14.069
FDA Mainterm : CYCLOHEXYLMETHYL PYRAZINE.
Organoleptics :
Odor Type :nutty
Odor Strength :high ,
recommend smelling in a 0.10 % solution or less
Odor Description:
at 0.10 % in dipropylene glycol.  		green musty nutty
Properties :
Appearence :pale yellow to amber clear liquid
Assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
Specific Gravity :1.00300 to 1.00900 @ 25.00 °C.
Pounds per Gallon - est. : 8.346 to 8.396
Refractive Index :1.51500 to 1.52000 @ 20.00 °C.
Boiling Point : 100.00 °C. @ 4.00 mm Hg
Flash Ppoint : 216.00  °F.  TCC  ( 102.22 °C. )
logP (o/w) : 2.77
Safety :
Oral Toxicity(LD50) : 
  Gavage-Mouse   [sex: M,F]  2673.00  mg/kg
(Babish, 1978a)

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
Safety in Use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.01 (μg/capita/day)
 
Recommendation for cyclohexyl methyl pyrazine fragrance 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-(cyclohexylmethyl)pyrazine
(EINECS) Number :248-905-1
Chemidplus :028217927
EPA Substance Registry Services :28217-92-7
References :
 
2-(cyclohexylmethyl)pyrazine
Pubchem :204957
Other :
FDA Everything Added to Food in the United States (EAFUS)View
Synonyms :
(cyclohexyl methyl) pyrazine
2-(cyclohexyl methyl) pyrazine
2-(cyclohexylmethyl)pyrazine
2-pyrazine cyclohexyl methyl
2-pyrazinyl cyclohexyl methyl
2-pyrazinyl methyl cyclohexane
Soluble in :
 alcohol
 water, slightly
Insoluble in :
 water
Potential Blenders :    note
2-sec-butyl-3-methoxypyrazineFL/FR
 cyclamen aldehydeFL/FR
2,5-diethyl-4-methyl thiazoleFL
2,3-dimethyl pyrazineFL
2-ethyl-4-methyl thiazoleFL/FR
2,4-hexadien-1-olFL
 hexyl pivalateFR
 methyl heptenoneFL/FR
2-methyl pyrazineFL
4-methyl thiazoleFL
 octyl 2-methyl butyrateFL/FR
 peanut oxazoleFL
isopropyl pyrazineFL
 shoyu pyrazineFL/FR
 tetrahydrofurfuryl butyrateFL/FR
Potential Uses :
 greenFL
 nutFL
Natural Occurrence in :    note
 not found in nature  


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