2-methyl quinoxaline
 
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IUPAC name :2-methylquinoxaline
InChI :InChI=1/C9H8N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-6H,1H3
InChIKey :ALHUXMDEZNLFTA-UHFFFAOYAA
SMILES :CC1=NC2=CC=CC=C2N=C1
(EINECS) number :230-664-9
cas number :7251-61-8
beilstein number :0113307
fl. number :14.139
molar refractivity :45.10 ± 0.3 cm3
parachor :337.0 ± 4.0 cm3
index of refraction :1.633 ± 0.02
surface tension :50.7 ± 3.0 dyne/cm
density :1.141 ± 0.06 g/cm3
polarizability :17.88 ± 0.5 10-24cm3
xlogp : 1.80
molecular weight : 144.1732200
formula :C9 H8 N2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :coffee
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
toasted coffee nutty fruity
properties : 
appearence :pale yellow to dark red clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.11000 - 1.12500 @ 20.00 °C.
pounds per gallon - calc. : 9.247 to 9.372
refractive index :1.61200 - 1.62400 @ 20.00 °C.
boiling point : 245.00 - 247.00 °C. @ 760.00 mm Hg
logp : 1.61
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for 2-methyl quinoxaline usage levels up to :
  0.1000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :230-664-9
rtecs :VD3450000 for 7251-61-8
chemidplus :007251618
epa-srs :7251-61-8
dtp/nci :65587
  
other : 
 
references : 
fl. number :14.139
pubchem :166247
NIST Chemistry WebBook :3841370821
  
synonyms :
 coffee oxaline
2-methyl chinoxaline
2-methyl quinoxaline
soluble in :
 alcohol
 water, 3390 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 chocolate cocoa
 coffee
 passion fruit
 pork
natural occurrence in :
cocoa
coffee
passion fruit
pork



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