2,6-dimethoxy-4-vinyl phenol
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IUPAC name :4-ethenyl-2,6-dimethoxyphenol
InChI :InChI=1/C10H12O3/c1-4-7-5-8(12-2)10(11)9(6-7)13-3/h4-6,11H,1H2,2-3H3
InChIKey :QHJGZUSJKGVMTF-UHFFFAOYAI
SMILES :COC1=CC(=CC(=C1O)OC)C=C
cas number :28343-22-8
coe number :11229
fl. number :04.061
molar refractivity :52.41 ± 0.3 cm3
parachor :400.5 ± 4.0 cm3
index of refraction :1.561 ± 0.02
surface tension :37.5 ± 3.0 dyne/cm
density :1.113 ± 0.06 g/cm3
polarizability :20.77 ± 0.5 10-24cm3
XlogP : 2.40
molecular weight : 180.2004800
formula :C10 H12 O3
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
phenolic animal leather

properties :
appearence :colorless solid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 133.00 to 135.00 °C. @ 760.00 mm Hg
boiling point : 314.00 to 315.00 °C. @ 760.00 mm Hg
flash point : 259.00  °F.  TCC  ( 126.11 °C. )
logP (o/w) : 1.57

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :1.20 (μg/capita/day)
 
recommendation for 2,6-dimethoxy-4-vinyl phenol usage levels up to :
  0.0500 % in the fragrance concentrate.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
 
 
 
 4-ethenyl-2,6-dimethoxyphenol
chemidplus :028343228
EPA Substance Registry Services :28343-22-8

references :
 4-ethenyl-2,6-dimethoxyphenol
fl. number :04.061
NIST Chemistry WebBook :4289860443
pubchem :3737342

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
4-ethenyl-2,6-dimethoxyphenol

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 amber furan
 ambergris naphthol
 ambrinol
alpha-ambrinol
alpha-amyl cinnamyl acetate
 amyl phenyl acetate
isoamyl phenyl acetate
(3alpha,5alpha)-androst-16-en-3-ol
 animal carbolactone
 benzoin absolute sumatra
 benzyl alcohol
 betel leaf oil
4-tert-butyl phenol
2-isobutyl quinoline
isobutyl quinoline
isobutyl quinoline
6-tert-butyl-meta-cresol
dextro-camphor
 cananga oil
 castoreum absolute
 citronellol
(±)-citronellol
 civet absolute
 civet decenone
 clove bud absolute
 costus valerolactone
para-cresol
para-cresyl acetate
para-cresyl caprylate
ortho-cresyl isobutyrate
para-cresyl isobutyrate
para-cresyl isovalerate
para-cresyl phenyl acetate
 cuminyl alcohol
2,4-dihydroxybenzoic acid
2,6-dimethoxy-4-vinyl phenol
1,2-dimethoxybenzene
 dimethyl anthranilate
2,3-dimethyl benzofuran
 dimethyl octanol
2,3-dimethyl pyrazine
para-alpha-dimethyl styrene
2,6-dimethyl thiophenol
 diphenyl oxide
2-ethoxythiazole
 ethyl 3-(furfuryl thio) propionate
 ethyl 3-hydroxyhexanoate
4-ethyl guaiacol
para-ethyl phenol
3-ethyl pyridine
 ethylene dodecanoate
 floral methanol
2-furfurylidene butyraldehyde
 genet absolute
 guaiacol
 guaiacyl acetate
 guaiyl butyrate
2'-hydroxyacetophenone
4-hydroxybenzoic acid
 indolall
 indole
 indoletal
 juniper lactone
delta-juniper lactone
 leather cyclohexanol
 leather propionate
 linalyl hexanoate
 marine pyridine
 mate absolute
2'-methoxyacetophenone
2'-methyl acetophenone
 methyl benzoate
 methyl benzoxole
 methyl cedryl ketone
3-methyl crotonic acid
4-methyl cyclohexanone
4-methyl guaiacol
6-methyl quinoline
4-methyl salicylaldehyde
para-methyl tetrahydroquinoline
3-methyl valeric acid
4-methyl-2,6-dimethoxyphenol
delta-muscenone
 muscogene
dextro,laevo-muscone
normuscone
 musk dimethyl indane
 musk lactone
 musk nonane
 musk pentane
 nutty cyclohexenone
(Z)-oleyl alcohol
 opoponax oil
 opoponax resinoid
 orris pyridine
 osmanthus absolute
omega-pentadecalactone
3-penten-2-one
 petitgrain heptane
 phenoxyacetaldehyde 50% in benzyl alcohol
 phenyl pyruvic acid
 phthalide
 piperidine
 piperine
 piperitenone
2-propyl phenol
4-propyl phenol
 propyl valerate
 pyroligneous acids
 saffron indenone
 sea resorcylate
 seaweed absolute
 skatole
 spikenard oil
1-oxaspiro-4,7-dodecane
 thioguaiacol
beta-thujaplicin
meta-tolyl aldehyde
para-tolyl aldehyde
2,5,9-trimethyl-4,9-decadien-1-al
 valerian root oil
 valerian root oil china
 valerian root oil CO2 extract china
 vanillyl alcohol
 vanillyl ethyl ether
 verymoss
4-vinyl phenol
2,3-xylenol
2,5-xylenol
2,6-xylenol
 zingerone

natural occurrence in :
beer
coffee
wort



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