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
jecfa number :783
fl. number :14.069
molar refractivity :53.01 ± 0.3 cm3
parachor :439.6 ± 4.0 cm3
index of refraction :1.531 ± 0.02
surface tension :43.4 ± 3.0 dyne/cm
density :1.029 ± 0.06 g/cm3
polarizability :21.01 ± 0.5 10-24cm3
XlogP : 3.00
molecular weight : 176.2581400
formula :C11 H16 N2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

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 - calc. : 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 point : 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 :
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 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
fl. number :14.069
jecfa number :783
pubchem :204957

other :
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

(odor and/or flavor) blends with :
2-sec-butyl-3-methoxypyrazine
 cyclamen aldehyde
2,5-diethyl-4-methyl thiazole
2,3-dimethyl pyrazine
2-ethyl-4-methyl thiazole
2,4-hexadien-1-ol
 hexyl pivalate
 methyl heptenone
2-methyl pyrazine
4-methyl thiazole
 octyl 2-methyl butyrate
 peanut oxazole
isopropyl pyrazine
 shoyu pyrazine
 tetrahydrofurfuryl butyrate

(odor and/or flavor) used in :
 green
 nut

natural occurrence in :
not found in nature



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