4-ethyl guaiacol
 
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IUPAC name :4-ethyl-2-methoxyphenol
InChI :InChI=1/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3
InChIKey :CHWNEIVBYREQRF-UHFFFAOYAE
SMILES :CCC1=CC(=C(C=C1)O)OC
(EINECS) number :220-500-4
cas number :2785-89-9
fema number :2436
coe number :176
jecfa number :716
fl. number :04.008
molar refractivity :44.36 ± 0.3 cm3
parachor :355.5 ± 4.0 cm3
index of refraction :1.525 ± 0.02
surface tension :36.4 ± 3.0 dyne/cm
density :1.051 ± 0.06 g/cm3
polarizability :17.58 ± 0.5 10-24cm3
xlogp : 2.40
molecular weight : 152.1903800
formula :C9 H12 O2
BioActivity Analysis :121018
 
 
fda reg :172.515 h. number :unspecified
organoleptics : 
odor type :spicy
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
spicy smoky bacon phenolic clove
taste description³ :at 30.00 ppm.  
Woody, smokey and spicy with a sweet vanilla background
substantivity :304  Hour(s)
properties : 
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.06100 - 1.06400 @ 25.00 °C.
pounds per gallon - calc. : 8.829 to 8.854
refractive index :1.52500 - 1.53000 @ 20.00 °C.
melting point : 15.00 °C. @ 760.00 mm Hg
boiling point : 235.00 - 236.00 °C. @ 760.00 mm Hg
boiling point : 82.00 - 85.00 °C. @ 1.30 mm Hg
logp : 2.38
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 226.00  °F.  TCC  ( 107.78 °C. )
  
recommendation for 4-ethyl guaiacol usage levels up to :
  1.0000 % in the fragrance concentrate.
  
recommendation for 4-ethyl guaiacol usage levels up to :
  30.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :220-500-4
chemidplus :002785899
epa-srs :2785-89-9
dtp/nci :82313
  
other : 
 
references : 
pubchem :203890
NIST Chemistry WebBook :1104126098
  
reference : Mosciano, Gerard P&F 15, No. 1, 19, (1990)³
synonyms :
homocreosol
4-ethyl guaiacol
para-ethyl guaiacol
4-ethyl-2-methoxyphenol
 guaiacyl ethane
1-hydroxy-2-methoxy-4-ethyl benzene
4-hydroxy-3-methoxyethyl benzene
4-hydroxy-3-methoxyphenyl ethane
2-methoxy-4-ethyl phenol
soluble in :
 alcohol
 dipropylene glycol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetophenone
2-acetyl furan
 allspice oil
 amber carbinol
 ambroxan
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisaldehyde
para-anisyl alcohol
 bay leaf oil
 beeswax absolute
 benzoin resinoid
 benzyl acetate
 benzyl alcohol
 benzyl benzoate
 benzyl isoeugenol
 benzyl salicylate
 bergamot oil
 blood orange oil
 bois de rose oil
isobornyl acetate
laevo-bornyl acetate
isobutyl cinnamate
isobutyl quinoline
 carnation absolute
 cassia bark oil
 cedarwood oils
 cinnamyl alcohol
 citronellol
 clary sage oil
 clove bud oil
 clover nitrile
 coconut absolute
 coriander seed oil
 costus valerolactone
 coumarin
 cyclamen aldehyde
 davana oil
gamma-decalactone
 decanol
 dimethyl anthranilate
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 ethyl cinnamate
 ethyl maltol
 ethyl phenyl acetate
 ethyl vanillin
 eugenol
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 geraniol
 geranyl acetate
 guaiacol
 guaiacwood oil
 guaiacyl phenyl acetate
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
gamma-heptalactone
gamma-hexalactone
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 immortelle absolute
 ionones
 labdanum resinoid
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 maltol
 methyl acetophenone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 muguet carboxaldehyde
 musks
 myrrh oil
beta-naphthyl ethyl ether
 nerol
 neryl acetate
gamma-nonalactone
 nonanol
 oakmoss absolute
 ocean propanal
gamma-octalactone
 patchouli ethanone
 patchouli oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetic acid
3-phenyl propyl alcohol
 raspberry ketone
 rhodinol
 rose butanoate
 santall
 strawberry furanone
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 vanilla absolute
 vanillyl acetate
 verymoss
 vetiver oil
 woody acetate
 woody amylene
(odor and/or flavor) used in :
 bacon
 berry
 carnation dianthus oeillet
 clove
 dairy
 fruit
 meat smoked meat
 peru balsam
 pizza
 salmon smoked salmon
 spice
 tolu balsam
 tomato
 vanilla
 vegetable
 whiskey
natural occurrence in :
brandy grape brandy
cinnamon
coffee
rum
tomato
whiskey
wine



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