2,6-dimethoxyphenol
Notes :
The most inportant ingredient contributing to the smoked odor.
 
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IUPAC name :2,6-dimethoxyphenol
InChI :InChI=1/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
InChIKey :KLIDCXVFHGNTTM-UHFFFAOYAG
SMILES :COC1=C(C(=CC=C1)OC)O
(EINECS) number :202-041-1
cas number :91-10-1
fema number :3137
coe number :2233
jecfa number :721
fl. number :04.036
molar refractivity :41.49 ± 0.3 cm3
parachor :335.6 ± 4.0 cm3
index of refraction :1.522 ± 0.02
surface tension :37.2 ± 3.0 dyne/cm
density :1.134 ± 0.06 g/cm3
polarizability :16.44 ± 0.5 10-24cm3
xlogp : 1.40
molecular weight : 154.1632000
formula :C8 H10 O3
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :smoky
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
smoky bacon woody
taste description³ :at 60.00 ppm.  
Sweet, medicinal, creamy, meaty, vanilla, spice
substantivity :356  Hour(s)
properties : 
appearence :white to tan powder
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 54.00 - 56.00 °C. @ 760.00 mm Hg
boiling point : 260.00 - 261.00 °C. @ 760.00 mm Hg
logp : 0.77
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    550.00  mg/kg  FMCRAW  32,309,1991
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
  
recommendation for 2,6-dimethoxyphenol usage levels up to :
  0.1000 % in the fragrance concentrate.
  
recommendation for 2,6-dimethoxyphenol usage levels up to :
  60.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :202-041-1
rtecs :SL0900000 for 91-10-1
chemidplus :91-10-1
epa-srs :91-10-1
  
other : 
 
references : 
pubchem :10537765
NIST Chemistry WebBook :1382438076
  
reference : Mosciano, Gerard P&F 19, No. 1, 27, (1994)³
synonyms :
1,3-di-ortho-methyl pyrogallol
1,3-dimethoxy-2-hydroxybenzene
2,6-dimethoxyphenol
1,3-dimethyl pyrogallate
2-hydroxy-1,3-dimethoxybenzene
 pyrogallol 1,3-dimethyl ether
 pyrogallol dimethyl ether
 syringol
soluble in :
 alcohol
 water, 17200 mg/L @ 13C
insoluble in :
 water
(odor and/or flavor) blends with :
 allspice oil
 ambroxan
isoamyl salicylate
 amyris wood oil
 angelica root oil
para-anisaldehyde
 anise seed oil
para-anisyl acetate
 benzoin resinoid
 benzyl isoeugenol
 benzyl salicylate
 birch tar oil
isobornyl acetate
laevo-bornyl acetate
isobutyl cinnamate
isobutyl quinoline
isobutyl salicylate
 cade oil
 cassia bark oil
 cedarwood oils
 chocolate pyrazine
 cistus oil
 clove bud oil
 clover nitrile
 costus valerolactone
 coumarin
para-cresyl caprylate
 dihydroanethol
 dimethyl hydroquinone
 dodecanal
 ethyl cinnamate
4-ethyl guaiacol
 ethyl laurate
 ethyl vanillin
 eugenol
isoeugenyl acetate
 fir balsam absolute
 frankincense oil
 guaiacwood oil
 hay absolute
 heliotropin
 heliotropyl acetone
gamma-heptalactone
alpha-hexyl cinnamaldehyde
 immortelle absolute
 labdanum resinoid
 maltol
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl cyclopentenolone
 methyl isoeugenol
 methyl phenyl acetate
 musks
gamma-nonalactone
 oakmoss absolute
gamma-octalactone
 orris pyridine
 patchouli ethanone
 patchouli oil
 phenethyl alcohol
 phenethyl phenyl acetate
3-phenyl propyl alcohol
 santall
 tobacco dodecane
 tonka bean absolute
10-undecen-1-al
 vanilla absolute
 vanillyl acetate
 verymoss
 woody acetate
 woody amylene
 woody propanol
(odor and/or flavor) used in :
 bacon
 coffee
 licorice
 meat smoked meat
 nut
 rum
 salmon smoked salmon
 smoke
 vanilla
natural occurrence in :
beechwood tar cresoste
coffee



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