peanut oxazole
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2,4,5-trimethyl-2,5-dihydro-1,3-oxazole
InChI :InChI=1/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3
InChIKey :YFSGRMONVCFYTC-UHFFFAOYAD
SMILES :CC1C(=NC(O1)C)C
cas number :22694-96-8
beilstein number :1098973
fema number :3525
coe number :2319
fl. number :13.039
molar refractivity :31.53 ± 0.5 cm3
parachor :247.5 ± 8.0 cm3
index of refraction :1.491 ± 0.05
surface tension :26.7 ± 7.0 dyne/cm
density :1.03 ± 0.1 g/cm3
polarizability :12.49 ± 0.5 10-24cm3
xlogp : 0.90
molecular weight : 113.1576400
formula :C6 H11 N O
 
 
IUPAC name :(2R,5R)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium
InChI :InChI=1/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3/p+1/t5-,6-/m1/s1/fC6H12NO/h7H/q+1
InChIKey :YFSGRMONVCFYTC-WROALIMLBV
SMILES :C[C@@H]1C(=[NH+][C@H](O1)C)C
cas number :22694-96-8
molar refractivity :31.53 ± 0.5 cm3
parachor :247.5 ± 8.0 cm3
index of refraction :1.491 ± 0.05
surface tension :26.7 ± 7.0 dyne/cm
density :1.03 ± 0.1 g/cm3
polarizability :12.49 ± 0.5 10-24cm3
xlogp : 0.90
molecular weight : 113.1576400
formula :C6 H11 N O
 
 
IUPAC name :(2R,5S)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium
InChI :InChI=1/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3/p+1/t5-,6+/m0/s1/fC6H12NO/h7H/q+1
InChIKey :YFSGRMONVCFYTC-BDWPQBNJBO
SMILES :C[C@H]1C(=[NH+][C@H](O1)C)C
cas number :22694-96-8
molar refractivity :31.53 ± 0.5 cm3
parachor :247.5 ± 8.0 cm3
index of refraction :1.491 ± 0.05
surface tension :26.7 ± 7.0 dyne/cm
density :1.03 ± 0.1 g/cm3
polarizability :12.49 ± 0.5 10-24cm3
xlogp : 0.90
molecular weight : 113.1576400
formula :C6 H11 N O
 
 
IUPAC name :(2S,5R)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium
InChI :InChI=1/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3/p+1/t5-,6+/m1/s1/fC6H12NO/h7H/q+1
InChIKey :YFSGRMONVCFYTC-BKOYIDEABI
SMILES :C[C@@H]1C(=[NH+][C@@H](O1)C)C
cas number :22694-96-8
molar refractivity :31.53 ± 0.5 cm3
parachor :247.5 ± 8.0 cm3
index of refraction :1.491 ± 0.05
surface tension :26.7 ± 7.0 dyne/cm
density :1.03 ± 0.1 g/cm3
polarizability :12.49 ± 0.5 10-24cm3
xlogp : 0.90
molecular weight : 113.1576400
formula :C6 H11 N O
 
 
IUPAC name :(2S,5S)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium
InChI :InChI=1/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3/p+1/t5-,6-/m0/s1/fC6H12NO/h7H/q+1
InChIKey :YFSGRMONVCFYTC-WHPAWDLABY
SMILES :C[C@H]1C(=[NH+][C@@H](O1)C)C
cas number :22694-96-8
molar refractivity :31.53 ± 0.5 cm3
parachor :247.5 ± 8.0 cm3
index of refraction :1.491 ± 0.05
surface tension :26.7 ± 7.0 dyne/cm
density :1.03 ± 0.1 g/cm3
polarizability :12.49 ± 0.5 10-24cm3
xlogp : 0.90
molecular weight : 113.1576400
formula :C6 H11 N O
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :musty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
musty green wood nutty caramel
taste description³ :at 10.00 ppm.  
Musty, nutty, cocoa, brown, vegetative and bready with a slight bitter nuance
properties : 
appearence :yellow orange clear liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.91100 - 0.93200 @ 25.00 °C.
pounds per gallon - calc. : 7.580 to 7.755
refractive index :1.41400 - 1.43500 @ 20.00 °C.
boiling point : 125.00 - 127.00 °C. @ 760.00 mm Hg
logp : 1.72
safety : 
Oral Toxicity(LD50) : Oral-Mouse    4840.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 87.00  °F.  TCC  ( 30.56 °C. )
  
recommendation for peanut oxazole usage levels up to :
  0.0500 % in the fragrance concentrate.
  
recommendation for peanut oxazole usage levels up to :
  10.0000 ppm in the flavor.
  
safety links : 
chemidplus :022694968
epa-srs :22694-96-8
  
chemidplus :22694-96-8
epa-srs :22694-96-8
  
chemidplus :22694-96-8
epa-srs :22694-96-8
  
chemidplus :22694-96-8
epa-srs :22694-96-8
  
chemidplus :22694-96-8
epa-srs :22694-96-8
  
other : 
 
references : 
pubchem :173577
  
pubchem :43600702
  
pubchem :43600700
  
pubchem :43600706
  
pubchem :43600704
  
reference : Mosciano, Gerard P&F 21, No. 6, 49, (1996)³
synonyms :
2,5-dihydro-2,4,5-trimethyl oxazole
 peanut oxazole
2,4,5-trimethyl-2,5-dihydrooxazole
2,4,5-trimethyl-3-oxazoline
2,4,5-trimethyl-delta-3-oxazoline
soluble in :
 alcohol
 fixed oils
 water, slightly
insoluble in :
 water
(odor and/or flavor) used in :
 bread
 caramel
 chocolate cocoa
 coffee
 nut peanut
natural occurrence in :
beef heated beef
peanut roasted peanut



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