2,6-xylenol
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2,6-dimethylphenol
InChI :InChI=1/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
InChIKey :NXXYKOUNUYWIHA-UHFFFAOYAM
SMILES :CC1=C(C(=CC=C1)C)O
(EINECS) number :209-400-1
eu annex :604-006-00-X
cas number :576-26-1
beilstein number :1446677
fema number :3249
coe number :11261
jecfa number :707
fl. number :04.042
molar refractivity :37.78 ± 0.3 cm3
parachor :297.5 ± 4.0 cm3
index of refraction :1.540 ± 0.02
surface tension :37.2 ± 3.0 dyne/cm
density :1.014 ± 0.06 g/cm3
polarizability :14.97 ± 0.5 10-24cm3
xlogp : 2.10
molecular weight : 122.1644000
formula :C8 H10 O
BioActivity Analysis :68809
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :2,6-Xylenol
 ≥99%
 
 

organoleptics :
odor type :medicinal
odor strength :medium ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
sweet medicinal phenolic rooty coffee

properties :
appearence :white to yellowish orange solid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 45.00 - 47.00 °C. @ 760.00 mm Hg
boiling point : 201.00 - 203.00 °C. @ 760.00 mm Hg
logp : 2.36

safety :
most important hazard(s) : T N - Toxic, Dangerous for the environment.
  
Oral Toxicity(LD50) : Oral-Rat    296.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  1.00  gm/kg    
  
flash point ( Deg. F. ) : 173.00  °F.  TCC  ( 78.33 °C. )
  
recommendation for 2,6-xylenol usage levels up to :
 not for fragrance use.
  

safety links :
(EINECS) number :209-400-1
rtecs :ZE6125000 for 576-26-1
chemidplus :000576261
epa-srs :576-26-1
dtp/nci :2123
  

other :
 

references :
jecfa number :707
fl. number :04.042
pubchem :154636
NIST Chemistry WebBook :3812501956
  
synonyms :
2,6-dimethyl phenol
2-hydroxy-1,3-dimethyl benzene
1-hydroxy-2,6-dimethyl benzene
2,6-xylenol
soluble in :
 alcohol
 water, 6050 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
2-acetyl furan
2-acetyl pyrazine
1-allyl-2,2,7,7-tetramethyl cycloheptanol
 benzothiazole
 benzyl mercaptan
 buchu leaf oil
 butyl mercaptan
 caramel furanone
 cassis pentanone
 chavicol
 cocoa pyrazine
 coffee difuran
 coffee dione
 coffee pyrazine
 dicyclohexyl disulfide
 difurfuryl ether
 difurfuryl sulfide
 diisoamyl thiomalate
2,3-dimethyl pyrazine
2,6-dimethyl pyrazine
2,4-dimethyl thiazole
4,5-dimethyl-2-ethyl-3-thiazoline
2,5-dimethyl-3-thiofuroyl furan
 elecampane root absolute
 elecampane root oil
 ethyl 3-(furfuryl thio) propionate
2-ethyl fenchol
 ethyl methyl sulfide
S-ethyl thioacetate
2-ethyl-3,5(6)-dimethyl pyrazine mixture
 filbert heptenone
 furfuryl alcohol
 furfuryl isopropyl sulfide
 furfuryl mercaptan
 furfuryl methyl ether
 furfuryl propionate
1-furfuryl pyrrole
 furfuryl thioacetate
S-furfuryl thioformate
 furfuryl thiopropionate
 galbanum oil
1-hydroxy-2-butanone
 melilot absolute
 melilot oleoresin
 menthofuran
2-methyl 3-(methyl thio) furan 10% in triacetin
2-methyl 5-(methyl thio) furan
2-methyl butyraldehyde
 methyl cyclopentenolone
 methyl furfuryl disulfide
4-methyl guaiacol
2-methyl quinoxaline
5-methyl quinoxaline
2-methyl thio-3,5 or 6-methyl pyrazine
4-methyl-2,6-dimethoxyphenol
2-methyl-3-,5 or 6-(furfuryl thio) pyrazine
2-methyl-5-isopropyl pyrazine
 octyl phenyl acetate
2-propyl phenol
4-propyl phenol
 radish isothiocyanate
 rhubarb pyran
2,3,5,6-tetramethyl pyrazine
2-thienyl mercaptan
2-thiophene thiol
2,4,5-trimethyl thiazole
 tropical thiazole
 valerian root oil
 valerian root oil china
 valerian root oil CO2 extract china
 vetiver oil
 vetiver resinoid
 vetiverol
 vetiveryl acetate
4-vinyl phenol
 vinyl sulfurol
natural occurrence in :
coffee
data pageosmanthus absolute @ 0.28%



information only - not sold by The Good Scents Company.



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2008 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 11/13/2008