guaiacol
 
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IUPAC name :2-methoxyphenol
InChI :InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKey :LHGVFZTZFXWLCP-UHFFFAOYAI
SMILES :COC1=CC=CC=C1O
(EINECS) number :201-964-7
eu annex :604-031-00-6
cas number :90-05-1
fema number :2532
coe number :173
jecfa number :713
fl. number :04.005
molar refractivity :34.81 ± 0.3 cm3
parachor :278.9 ± 4.0 cm3
index of refraction :1.534 ± 0.02
surface tension :38.6 ± 3.0 dyne/cm
density :1.109 ± 0.06 g/cm3
polarizability :13.80 ± 0.5 10-24cm3
xlogp : 1.50
molecular weight : 124.1372200
formula :C7 H8 O2
BioActivity Analysis :17388828
 
 
fda reg :172.515 h. number :2909.50.0000
 
organoleptics : 
odor type :phenolic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
phenolic smoke spice vanilla woody
substantivity :278 hour(s) at 100.00 %
properties : 
appearence :colorless to pale yellow clear oily liquid to solid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.12300 - 1.13000 @ 25.00 °C.
pounds per gallon - calc. : 9.344 to 9.403
refractive index :1.53300 - 1.54400 @ 20.00 °C.
melting point : 28.00 - 32.00 °C. @ 760.00 mm Hg
boiling point : 205.00 - 206.00 °C. @ 760.00 mm Hg
boiling point : 119.00 - 120.00 °C. @ 40.00 mm Hg
logp : 1.32
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.  store under nitrogen.
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    520.00  mg/kg    32,309,1991
Dermal Toxicity(LD50) : Skin-Rabbit  4600.00  mg/kg  FCTOD7  20,697,1982
  
flash point ( Deg. F. ) : 180.00  °F.  TCC  ( 82.22 °C. )
  
recommendation for guaiacol usage levels up to :
  0.5000 % in the fragrance concentrate.
  
recommendation for guaiacol usage levels up to :
  2.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :201-964-7
rtecs :SL7525000 for 90-05-1
chemidplus :000090051
epa-srs :90-05-1
dtp/nci :3815
  
other : 
  C of A     
references : 
jecfa number :713
fl. number :04.005
pubchem :150018
NIST Chemistry WebBook :198950809
  
synonyms :
 anastil
 guaiacol
ortho-guaiacol
1-hydroxy-2-methoxybenzene
2-hydroxyanisole
ortho-hydroxyanisole
1-oxy-2-methoxybenzene
2-methoxyphenol
ortho-methoxyphenol
 methyl catechol
ortho-methyl catechol
 pyrocatechol methyl ester
 pyrocatechol monomethyl ether
soluble in :
 alcohol
 water, 18700 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 allspice oil
4-allyl-2,6-dimethoxyphenol
 ambroxan
isoamyl salicylate
 amyris wood oil
 angelica root oil
para-anisaldehyde
 anise seed oil
para-anisyl acetate
 benzoin resinoid
 benzoin resinoid sumatra
 benzyl disulfide
 benzyl isoeugenol
 benzyl salicylate
 betel leaf oil
 birch tar oil
isobornyl acetate
laevo-bornyl acetate
isobutyl cinnamate
isobutyl quinoline
isobutyl quinoline
isobutyl salicylate
 cade oil
 cassia bark oil
 castoreum absolute
 cedarwood oils
 chipotle chili oleoresin
 cistus oil
 clove bud oil
 clover nitrile
 costus valerolactone
 coumarin
para-cresyl caprylate
 cubeb oil
 dihydroanethol
2,6-dimethoxyphenol
2,4-dimethyl benzaldehyde
2,3-dimethyl benzofuran
 dimethyl hydroquinone
para-alpha-dimethyl styrene
3,7-dimethyl-6-octenoic acid
 dodecanal
alpha-ethoxy-ortho-cresol
 ethyl 3-hydroxyhexanoate
 ethyl cinnamate
4-ethyl guaiacol
 ethyl laurate
para-ethyl phenol
 ethyl vanillin
 eugenol
isoeugenyl acetate
 fir balsam absolute
 frankincense oil
 furfuryl mercaptan
 guaiacwood oil
 guaiacyl acetate
 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
1-methyl pyrrole
 methyl vanillate
2-methyl-1,3-dithiolane
4-methyl-2,6-dimethoxyphenol
 musks
gamma-nonalactone
 oakmoss absolute
gamma-octalactone
 orris pyridine
 patchouli ethanone
 patchouli oil
 pepper tree berry oil
 phenethyl alcohol
 phenethyl phenyl acetate
3-phenyl propyl alcohol
 phoebe oil brazil
 prenyl mercaptan
 propyl 4-hydroxybenzoate
2-propyl phenol
 pyroligneous acids
 pyroligneous acids hickory
 santall
 thioguaiacol
 tobacco dodecane
 tonka bean absolute
10-undecen-1-al
 vanilla absolute
 vanillyl acetate
 vanillyl ethyl ether
 verymoss
 woody acetate
 woody amylene
 woody propanol
2,5-xylenol
dextro-xylose
 zingerone
(odor and/or flavor) used in :
 acorn
 allspice
 amber
 animal
 arnica
 azalea
 bacon
 beech wood tar
 beeswax cire d'abeille
 birch tar
 bread baked bread
 broom genet genista
 cabreuva
 cade
 cappuccino
 cassia
 cassia blossom
 castoreum
 celery
 chocolate cocoa
 cigar box
 cistus
 coconut
 coffee
 deertongue
 fagonia
 fenugreek
 fern fougere
 flouve
 flouve blossom
 gingerbread
 graham cracker
 grain
 grass sweet grass
 guaiacwood
 hay new mown hay foin coupe
 heliotrope
 herbal
 incense
 labdanum
 leaf autumn leaf
 leather
 lilac lilas syringa
 meat smoked meat
 moss
 nut
 nut filbert
 nut peanut
 nut sesame
 passion fruit
 petunia
 pine tar
 popcorn
 powder
 pumpkin
 rose white rose
 salmon smoked salmon
 smoke
 spice
 spicewood
 straw
 tobacco tabac tabaco
 tonka
 vanilla
 weedy
 woodruff asperula
 woody
natural occurrence in :
beer
data pageboronia absolute @ 0.02%
butter
celery seed
cinnamon
cloudberry
cocoa
coffee roasted coffee
filbert roasted filbert
guaiacwood
data pageketaki flower oil india @ 0.30%
milk
passion fruit
peanut roasted peanut
popcorn
rue plant
rum
sesame seed roasted
soya bean
tea
tobacco leaf
tomato
whiskey
wine
data pageylang ylang oil @ 0.17%



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