4-methyl-2,6-dimethoxyphenol
 
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IUPAC name :2,6-dimethoxy-4-methylphenol
InChI :InChI=1/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3
InChIKey :ZFBNNSOJNZBLLS-UHFFFAOYAO
SMILES :CC1=CC(=C(C(=C1)OC)O)OC
(EINECS) number :229-641-6
cas number :6638-05-7
fema number :3704
jecfa number :722
fl. number :04.053
molar refractivity :46.31 ± 0.3 cm3
parachor :373.2 ± 4.0 cm3
index of refraction :1.520 ± 0.02
surface tension :36.2 ± 3.0 dyne/cm
density :1.105 ± 0.06 g/cm3
polarizability :18.36 ± 0.5 10-24cm3
xlogp : 1.90
molecular weight : 168.1897800
formula :C9 H12 O3
 
 
export tariff code :2909.5
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :4-Methyl-2,6-dimethoxyphenol
≥97%

organoleptics :
odor type :phenolic
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
phenolic smoke medicinal woody spice eugenol root caramel

properties :
appearence :yellow to orange solid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 37.00 to 42.00 °C. @ 760.00 mm Hg
boiling point : 145.00 to 146.00 °C. @ 14.00 mm Hg
logp : 1.23

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 4-methyl-2,6-dimethoxyphenol usage levels up to :
  0.1000 % in the fragrance concentrate.
recommendation for 4-methyl-2,6-dimethoxyphenol usage levels up to :
  10.0000 ppm in the flavor.

safety references :
EPI System :view
 
 
 2,6-dimethoxy-4-methylphenol
(EINECS) number :229-641-6
chemidplus :006638057
EPA Substance Registry Services :6638-05-7
NLM Chemical Carcinogenesis Research Information System :6638-05-7
NLM Developmental and Reproductive Toxicity :6638-05-7
NLM Env. Mutagen Info. Center :6638-05-7
NLM GENetic TOXicology :6638-05-7
dtp/nci :47901

references :
 2,6-dimethoxy-4-methylphenol
jecfa number :722
fl. number :04.053
pubchem :204113
NIST Chemistry WebBook :664894646

other :
synonyms :
3,5-dimethoxy-4-hydroxytoluene
2,6-dimethoxy-4-methyl phenol
2,6-dimethoxy-para-cresol
4-hydroxy-3,5-dimethoxytoluene
4-methyl syringol
4-methyl-2,6-dimethoxyphenol
1-methyl-3,5-dimethoxy-4-hydroxybenzene

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 allspice oil
4-allyl-2,6-dimethoxyphenol
 amber carane
 amber oil
 ambroxan
isoamyl salicylate
 amyris wood oil
 angelica root oil
para-anisaldehyde
 anise seed oil
para-anisyl acetate
 atractylis root oil
 benzoin absolute sumatra
 benzoin resinoid
 benzyl alcohol
 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
dextro-camphor
 carvacrol
 caryophyllene
beta-caryophyllene
isocaryophyllene
alpha-caryophyllene alcohol
 caryophyllene alcohol acetate
 cascarilla bark oil
 cassia bark oil
 castoreum absolute
 cedarwood oil atlas
 cedarwood oils
 chamomile oil
 chavicol
 cinnamon bark oil
 cinnamon bark oil (cinnamomum zeylanicum blume) india
 cinnamon leaf oil
 cinnamon oleoresin
 cistus oil
 clove bud absolute
 clove bud oil
 clover nitrile
alpha-copaene
 costus valerolactone
 coumarin
para-cresyl acetate
para-cresyl caprylate
ortho-cresyl isobutyrate
 cresyl notes
 dihydroanethol
2,4-dihydroxybenzoic acid
2,6-dimethoxy-4-vinyl phenol
1,2-dimethoxybenzene
2,6-dimethoxyphenol
 dimethyl anthranilate
2,3-dimethyl benzofuran
 dimethyl hydroquinone
para-alpha-dimethyl styrene
2,6-dimethyl thiophenol
3,7-dimethyl-6-octenoic acid
 diphenyl oxide
 dodecanal
alpha-ethoxy-ortho-cresol
2-ethoxythiazole
 ethyl 3-hydroxyhexanoate
 ethyl cinnamate
4-ethyl guaiacol
 ethyl laurate
para-ethyl phenol
 ethyl vanillin
 eugenol
isoeugenyl acetate
 fir balsam absolute
 frankincense absolute
 frankincense oil
 frankincense resinoid
 furfuryl mercaptan
 galangal root oil
(E)-germacrene D
 ginger root oil
 ginger root oil brazil
 grains of paradise oil
 guaiacol
 guaiacwood oil
 guaiacyl acetate
 guaiyl acetate
 hay absolute
 heliotropin
 heliotropyl acetone
gamma-heptalactone
alpha-hexyl cinnamaldehyde
 huon pine wood oil
2'-hydroxyacetophenone
4-hydroxybenzoic acid
 immortelle absolute
 juniper berry oleoresin
 labdanum resinoid
 mace oil
 maltol
 mate absolute
2'-methoxyacetophenone
 methyl benzoate
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
 methyl cinnamate
3-methyl crotonic acid
 methyl cyclopentenolone
4-methyl guaiacol
 methyl isoeugenol
 methyl phenyl acetate
 methyl phenyl sulfide
1-methyl pyrrole
4-methyl salicylaldehyde
2-methyl-1,3-dithiolane
 mimosa absolute
 musks
gamma-nonalactone
 nutty cyclohexenone
 oakmoss absolute
gamma-octalactone
 octanal diethyl acetal
3-octanol
 opoponax absolute
 orris pyridine
 orthodon dianthera maxim. oil vietnam
 parsley seed oil
 patchouli absolute
 patchouli ethanone
 patchouli oil
3-penten-2-one
 pepper tree berry oil
 phenethyl alcohol
 phenethyl phenyl acetate
3-phenyl propyl alcohol
 phenyl pyruvic acid
 phoebe oil brazil
 phthalide
 pimento berry absolute
 pine needle oil dwarf
 piperitenone
 propyl 4-hydroxybenzoate
2-propyl phenol
4-propyl phenol
 pyroligneous acids
 pyroligneous acids hickory
 rhubarb oxirane
 salvia atropatana bunge oil iran
 santall
 sea resorcylate
 seaweed absolute
 spicy carbonate
 spicy pentanone
 spikenard oil
 tansy flower oil canada
 tansy flower oil dutch
 tansy leaf oil dutch
 tansy oil
 theaspirane
 thioguaiacol
beta-thujaplicin
(E)-tiglic acid
 tobacco dodecane
meta-tolyl aldehyde
para-tolyl aldehyde
 tonka bean absolute
 turmeric oleoresin
 turmeric root absolute
 tyramine
10-undecen-1-al
 vanilla absolute
 vanillin propylene glycol acetal
 vanillyl acetate
 vanillyl alcohol
 vanillyl ethyl ether
 verymoss
4-vinyl phenol
 woody acetate
 woody amylene
 woody propanol
2,3-xylenol
2,5-xylenol
2,6-xylenol
dextro-xylose
 zedoary bark oil
 zingerone

(odor and/or flavor) used in :
 bacon
 horseradish
 salmon smoked salmon
 smoke
 spice
 vanilla
 woody

natural occurrence in :
found in nature



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