1,3-dimethoxybenzene
 
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IUPAC name :1,3-dimethoxybenzene
InChI :InChI=1/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
InChIKey :DPZNOMCNRMUKPS-UHFFFAOYAK
(EINECS) number :205-783-4
cas number :151-10-0
fema number :2385
coe number :189
jecfa number :1249
fl. number :04.016
molar refractivity :39.60 ± 0.3 cm3
parachor :320.6 ± 4.0 cm3
index of refraction :1.488 ± 0.02
surface tension :29.6 ± 3.0 dyne/cm
density :1.005 ± 0.06 g/cm3
polarizability :15.70 ± 0.5 10-24cm3
xlogp : 1.90
molecular weight : 138.1638000
formula :C8 H10 O2
 
 
fda reg :172.515 h. number :unspecified
organoleptics : 
odor type :medicinal
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
acid fruity nutmeg neroli
taste description³ :at  ppm.  
Chemical, medicinal, spice, cooling root beer-like
substantivity :64  Hour(s)
properties : 
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.06610 - 1.07000 @ 25.00 °C.
pounds per gallon - calc. : 8.871 to 8.903
refractive index :1.52300 - 1.52700 @ 20.00 °C.
melting point : -55.00 - -52.00 °C. @ 760.00 mm Hg
boiling point : 85.00 - 87.00 °C. @ 7.00 mm Hg
boiling point : 215.00 - 217.00 °C. @ 760.00 mm Hg
logp : 2.21
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 186.00  °F.  TCC  ( 85.56 °C. )
  
recommendation for 1,3-dimethoxybenzene usage levels up to :
  1.0000 % in the fragrance concentrate.
  
recommendation for 1,3-dimethoxybenzene usage levels up to :
  8.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :205-783-4
rtecs :CZ6474000 for 151-10-0
chemidplus :000151100
epa-srs :151-10-0
dtp/nci :8699
  
other : 
 
references : 
jecfa number :1249
fl. number :04.016
pubchem :152206
NIST Chemistry WebBook :244190281
  
reference : Mosciano, Gerard P&F 17, No. 3, 57, (1992)³
synonyms :
1,3-dimethoxybenzene
meta-dimethoxybenzene
 dimethyl resorcinol
3-methoxyanisole
 resorcinol dimethyl ether
soluble in :
 alcohol
 water, 1110 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 anise
 brandy
 cheese
 coconut
 earth humus
 neroli
 nut hazelnut
 nutmeg
 rootbeer
 vanilla
 wintergreen
natural occurrence in :
brandy
butter
cheese
coffee
cognac
gruyere de compte
kiwi fruit
data pagemangrove bark red oil cuba @ 0.10%
rice



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