vanillyl alcohol
 
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IUPAC name :4-(hydroxymethyl)-2-methoxyphenol
InChI :InChI=1/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3
InChIKey :ZENOXNGFMSCLLL-UHFFFAOYAV
SMILES :COC1=C(C=CC(=C1)CO)O
(EINECS) number :207-852-4
cas number :498-00-0
fema number :3737
coe number :690
jecfa number :886
fl. number :02.213
molar refractivity :41.26 ± 0.3 cm3
parachor :332.4 ± 4.0 cm3
index of refraction :1.570 ± 0.02
surface tension :48.9 ± 3.0 dyne/cm
density :1.226 ± 0.06 g/cm3
polarizability :16.35 ± 0.5 10-24cm3
xlogp : 0.70
molecular weight : 154.1632000
formula :C8 H10 O3
BioActivity Analysis :70393
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Fontarome Chemical :VANILLYL ALCOHOL
 
Sigma-Aldrich-SAFC :4-Hydroxy-3-methoxybenzyl alcohol
 ≥98%, Kosher
 
 

organoleptics :
odor type :creamy
odor strength :medium
odor description :
at 100.00 %.  
sweet creamy phenolic vanilla tonka

properties :
appearence :white to tan powder
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 112.00 - 115.00 °C. @ 760.00 mm Hg
boiling point : 312.00 - 313.00 °C. @ 760.00 mm Hg
logp : 0.42

safety :
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :5.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :6.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 289.00  °F.  TCC  ( 142.78 °C. )
  
recommendation for vanillyl alcohol usage levels up to :
  8.0000 % in the fragrance concentrate.
  

safety links :
(EINECS) number :207-852-4
chemidplus :000498000
epa-srs :498-00-0
dtp/nci :3993
  

other :
 

references :
jecfa number :886
fl. number :02.213
pubchem :203633
NIST Chemistry WebBook :869742710
  
synonyms :
4-hydroxy-3-methoxybenzene methanol
4-hydroxy-3-methoxybenzenemethanol
4-hydroxy-3-methoxybenzyl alcohol
4-hydroxy-3-methoxyphenyl methanol
4-(hydroxymethyl)-2-methoxyphenol
3-methoxy-4-hydroxybenzyl alcohol
 vanillic alcohol
 vanillin alcohol
 vanillyl alcohol
soluble in :
 alcohol
 water, 2000 mg/L @ 20C
insoluble in :
 water
(odor and/or flavor) blends with :
 acetoin
 acetoin acetate
 acetyl butyryl
 acetyl isobutyryl
 acetyl isovaleryl
 acetyl nonyryl
 acetyl propionyl
 allyl methyl trisulfide
 allyl nonanoate
6-amyl-alpha-pyrone
para-anisyl acetate
 benzoin absolute sumatra
 benzyl alcohol
 benzylidene acetone
 betel leaf oil
isobutyl benzyl carbinol
 butyl butyryl lactate
 butyl lactate
 butyl laevo-lactate
 butyric acid
2-oxobutyric acid
gamma-butyrolactone
dextro-camphor
 chavicol
 coconut decanone
 coconut naphthalenone
 coumane
 coumarin
 creamy lactone
 dairy lactone
delta-decalactone
gamma-decalactone
6-decenoic acid
 deertongue absolute
 deertongue oleoresin
 dehydromenthofurolactone
 diacetyl
 dihydrocoumarin
2,4-dihydroxybenzoic acid
2,6-dimethoxy-4-vinyl phenol
1,2-dimethoxybenzene
 dimethyl anthranilate
2,3-dimethyl benzofuran
para-alpha-dimethyl styrene
2,6-dimethyl thiophenol
 diphenyl oxide
delta-2-dodecenolactone
2-ethoxythiazole
4-ethyl guaiacol
 ethyl palmitate
para-ethyl phenol
 ethyl undecylenate
 ethyl vanillin
 ethyl vanillin isobutyrate
 ethyl vanillin propylene glycol acetal
 farnesyl acetone
 flouve absolute
 guaiacol
 guaiacyl acetate
 hay absolute
gamma-heptalactone
 heptanal 2,3-butane diol acetal
(Z)-4-hepten-1-al
(Z)-4-hepten-1-al diethyl acetal
(Z)-4-hepten-1-ol
3-heptyl dihydro-5-methyl-2(3H)-furanone
2'-hydroxyacetophenone
4-hydroxybenzoic acid
 immortelle absolute
 lovage oleoresin
 massoia lactone
 mate absolute
 methional
2'-methoxyacetophenone
 methyl (Z)-5-octenoate
 methyl 2-thiofuroate
 methyl benzoate
6-methyl coumarin
7-methyl coumarin
 methyl coumarins
3-methyl crotonic acid
4-methyl guaiacol
 methyl laurate
4-methyl octanoic acid
6-methyl quinoline
4-methyl salicylaldehyde
4-methyl-2,6-dimethoxyphenol
 mint lactone
 myrtenal
delta-nonalactone
2-nonanol
1-nonen-3-ol
 nutty cyclohexenone
 oakmoss concrete
2,4-octadien-1-ol
 octahydrocoumarin
gamma-octalactone
3-octen-2-ol
 octyl 2-furoate
 octyl isobutyrate
3-penten-2-one
 phenyl pyruvic acid
 pine needle absolute
 piperitenone
2-propyl phenol
4-propyl phenol
 pyroligneous acids
 sea resorcylate
 seaweed absolute
 strawberry furanone acetate
 syringaldehyde
delta-tetradecalactone
 thioguaiacol
beta-thujaplicin
meta-tolyl aldehyde
para-tolyl aldehyde
 tonka bean absolute
 tonka bean oleoresin
 tonka bean resinoid
 tonka furanone
 tonka ketone
 tonka undecanone
 tonkavert
delta-undecalactone
gamma-undecalactone
 undecanoic acid
 vanilla oleoresin
 vanillic acid
 vanillin
 vanillyl acetate
 vanillyl ethyl ether
 vanillyl isobutyrate
 vanillylidene acetone
 verymoss
4-vinyl phenol
 whiskey lactone
2,3-xylenol
2,5-xylenol
2,6-xylenol
 zingerone
(odor and/or flavor) used in :
 balsam
 coconut
 cream
 milk
 sweet
 vanilla
natural occurrence in :
not found in nature



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