guaiacyl acetate
 
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IUPAC name :(2-methoxyphenyl) acetate
InChI :InChI=1/C9H10O3/c1-7(10)12-9-6-4-3-5-8(9)11-2/h3-6H,1-2H3
InChIKey :BHJHPYFAYGAPLS-UHFFFAOYAP
SMILES :CC(=O)OC1=CC=CC=C1OC
(EINECS) number :210-350-8
cas number :613-70-7
fema number :3687
coe number :552
jecfa number :718
fl. number :09.174
molar refractivity :44.27 ± 0.3 cm3
parachor :365.4 ± 4.0 cm3
index of refraction :1.497 ± 0.02
surface tension :34.2 ± 3.0 dyne/cm
density :1.099 ± 0.06 g/cm3
polarizability :17.55 ± 0.5 10-24cm3
xlogp : 1.50
molecular weight : 166.1739000
formula :C9 H10 O3
BioActivity Analysis :70262
 
 
fda reg :172.515 h. number :2915.39.9050
organoleptics : 
odor type :woody
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
phenolic guaiacol woody dry smoky ham vanilla woody
taste description³ :at 50.00 ppm.  
Woody, guaiacol, amoky, astringent and phenolic with vanillin and coumarin nuances
properties : 
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.12700 - 1.13500 @ 25.00 °C.
pounds per gallon - calc. : 9.378 to 9.444
refractive index :1.50700 - 1.51400 @ 20.00 °C.
melting point : 31.00 - 32.00 °C. @ 760.00 mm Hg
boiling point : 122.00 - 124.00 °C. @ 18.00 mm Hg
boiling point : 239.00 - 241.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 1.38
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
  
recommendation for guaiacyl acetate usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for guaiacyl acetate usage levels up to :
  50.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :210-350-8
chemidplus :000613707
epa-srs :613-70-7
dtp/nci :3831
  
other : 
 
references : 
jecfa number :718
fl. number :09.174
pubchem :197412
NIST Chemistry WebBook :3878366942
  
reference : Mosciano, Gerard P&F 23, No. 3, 55, (1998)³
synonyms :
1-acetoxy-2-methoxybenzene
ortho-acetoxyanisole
 acetyl guaiacol
ortho-acetyl guaiacol
ortho-anisyl acetate
 eucol
 guaiacol acetate
 guaiacyl acetate
2-methoxyphenol acetate
2-methoxyphenyl acetate
ortho-methoxyphenyl acetate
soluble in :
 alcohol
 water, 4250 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 acetophenone
 allyl amyl glycolate
 ambrette seed oil
 ambroxan
isoamyl benzoate
isoamyl phenyl acetate
isoamyl salicylate
 amyris wood oil
 angelica root oil
 animal carbolactone
para-anisaldehyde
 anise seed oil
para-anisyl acetate
para-anisyl alcohol
 armoise oil
 bay leaf oil
 beeswax absolute
 benzoin resinoid
 benzyl isoeugenol
 benzyl salicylate
 blood orange oil
 bois de rose oil
isobornyl acetate
laevo-bornyl acetate
isobutyl cinnamate
isobutyl salicylate
 callitropsis oil
 cananga oil
 caramel furanone
 caraway seed oil
 carrot seed oil
 cassia bark oil
 cedarwood oils
 champaca absolute
 champacol
 cinnamyl alcohol
 cistus oil
 clary sage oil
 clove bud oil
 clover nitrile
 costus root oil
 costus valerolactone
para-cresyl caprylate
 cyclohexyl ethyl alcohol
 cypress oil
 davana oil
 decanol
 decyl acetate
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinyl butyrate
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl maltol
 ethyl phenyl acetate
 ethyl vanillin
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 frankincense oil
 galbanum oil
 guaiacol
 guaiacyl phenyl acetate
 guaiol
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
gamma-heptalactone
 heptyl phenyl acetate
alpha-hexyl cinnamaldehyde
 hydroxycitronellal
 indole
 ionones
 labdanum resinoid
 leerall
 lilyall
 linalool
 linalool oxide
 linalyl acetate
 maltol
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 musks
beta-naphthyl ethyl ether
 neroli oil
 nerolidol
 nopyl acetate
 oakmoss absolute
 ocean propanal
 orris absolute
 orris pyridine
 palmarosa oil
 patchouli ethanone
 patchouli oil
 peony alcohol
 pepper oil black
 peru balsam oil
 phenethyl alcohol
 phenethyl phenyl acetate
3-phenyl propyl alcohol
 raspberry ketone methyl ether
 rose butanoate
 rose oxides
 santall
 spruce oil
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
10-undecen-1-al
 vanilla absolute
 vanillyl acetate
 verymoss
 vetiver oil
 watermelon ketone
 woody acetate
 woody amylene
 woody propanol
(odor and/or flavor) used in :
 acacia
 allspice
 almond
 alpine bouquet
 amber
 ambreine
 animal
 azalea
 balsam
 barley
 bayberry
 beeswax cire d'abeille
 bouquet
 boxwoodberry
 cabreuva
 calamus
 carnation dianthus oeillet
 cassia
 cassia blossom
 castoreum
 champaca champak
 cheese
 chestnut blossom
 chocolate cocoa
 christmas blends
 cigar box
 cistus
 clove
 clove blossom
 cookie
 copaiba
 coronilla
 cyclamen
 deertongue
 dogwood
 fern fougere
 fig
 flouve
 flouve blossom
 forest
 ginger white ginger
 grass sweet grass
 guaiacwood
 gurjun
 habuba
 hawthorn
 hay new mown hay foin coupe
 heather
 hinoki
 hugonia
 incense
 iris blossom
 jonquil narcissus jonquilla
 labdanum
 leaf autumn leaf
 mate
 meadow
 meat smoked meat
 millefleurs
 moss
 musk
 opoponax
 oriental
 orris iris
 osmanthus
 petunia
 phlox
 pinon cone
 praline
 rose
 rose moss rose
 rose tea rose
 rose white rose
 sherry
 smoke
 spice
 tea
 tea china tea
 tobacco tabac tabaco
 tonka
 valerian
 vanilla
 wine
 woodruff asperula
 woody
natural occurrence in :
cocoa



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