dimethyl dihydrocyclopentapyrazine
 
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IUPAC name :6,7-dihydro-2,5-dimethyl-5H-cyclopentapyrazine
InChI :InChI=1/C9H12N2/c1-6-3-4-8-9(6)10-5-7(2)11-8/h5-6H,3-4H2,1-2H3
InChIKey :CTFGVWCFSGCLHZ-UHFFFAOYAY
SMILES :CC1CCC2=NC(=CN=C12)C
cas number :38917-61-2
% from :60.00% to 100.00%
coe number :11310
fl. number :14.102
molar refractivity :44.14 ± 0.3 cm3
parachor :358.7 ± 4.0 cm3
index of refraction :1.537 ± 0.02
surface tension :41.6 ± 3.0 dyne/cm
density :1.049 ± 0.06 g/cm3
polarizability :17.49 ± 0.5 10-24cm3
xlogp : 1.00
molecular weight : 148.2049800
formula :C9 H12 N2
 
 
IUPAC name :6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazine
InChI :InChI=1/C9H12N2/c1-6-7(2)11-9-5-3-4-8(9)10-6/h3-5H2,1-2H3
InChIKey :AIKNQWWUQFXNAZ-UHFFFAOYAA
SMILES :CC1=NC2=C(CCC2)N=C1C
cas number :38917-62-3
% from :30.00% to 60.00%
fema number :3917
coe number :11309
jecfa number :782
fl. number :14.098
molar refractivity :44.25 ± 0.3 cm3
parachor :357.0 ± 4.0 cm3
index of refraction :1.556 ± 0.02
surface tension :45.4 ± 3.0 dyne/cm
density :1.077 ± 0.06 g/cm3
polarizability :17.54 ± 0.5 10-24cm3
xlogp : 1.10
molecular weight : 148.2049800
formula :C9 H12 N2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :burnt
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
burnt earthy nutty roasted
properties : 
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.02000 - 1.03000 @ 20.00 °C.
pounds per gallon - calc. : 8.497 to 8.581
refractive index :1.52400 - 1.53200 @ 20.00 °C.
boiling point : 230.00 - 231.00 °C. @ 760.00 mm Hg
logp : 1.77
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 149.00  °F.  TCC  ( 65.00 °C. )
  
recommendation for dimethyl dihydrocyclopentapyrazine usage levels up to :
  0.0500 % in the fragrance concentrate.
  
safety links : 
chemidplus :38917-61-2
epa-srs :38917-61-2
  
chemidplus :38917-62-3
epa-srs :38917-62-3
  
other : 
 
references : 
pubchem :10521315
NIST Chemistry WebBook :2912483499
  
pubchem :10544751
NIST Chemistry WebBook :1918962923
  
synonyms :
 dimethyl dihydrocyclopentapyrazine
2,5- and 2,3-dimethyl-6,7-dihydro-5H-cyclopentapyrazine
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
(odor and/or flavor) used in :
 chocolate
 coffee
 meat
 nut
natural occurrence in :
coffee



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