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
cas number :498-00-0
(EINECS) number :207-852-4
beilstein number :1910044
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 (IUPAC)
formula :C8 H10 O3
BioActivity Analysis :70393
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Fontarome :VANILLYL ALCOHOL
Odor:  Mild, sweet, balsamic, vanilla-like
Penta :vanillyl alcohol
SAFC Global® :4-Hydroxy-3-methoxybenzyl alcohol
≥98%, Kosher
Odor:  anise
organoleptics :
odor type :creamy
odor strength :medium
odor description:
at 100.00 %.  		sweet creamy phenolic vanilla tonka
odor description:
Sweet, creamy, phenolic with a vanilla and coconut nuance
Mosciano, Gerard P&F 17, No. 5, 127, (1992)
taste description:
Sweet, creamy, milky with a slight powdery mouthfeel
Mosciano, Gerard P&F 17, No. 5, 127, (1992)
properties :
appearence :white to tan crystalline powder
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 112.00 to 115.00 °C. @ 760.00 mm Hg
boiling point : 312.00 to 313.00 °C. @ 760.00 mm Hg
flash point : 289.00  °F.  TCC  ( 142.78 °C. )
logP (o/w) : 0.42
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :5.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :6.00 (μg/capita/day)
 
recommendation for vanillyl alcohol fragrance usage levels up to :
  8.0000 % 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
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
4-(hydroxymethyl)-2-methoxyphenol
(EINECS) number :207-852-4
chemidplus :000498000
EPA Substance Registry Services :498-00-0
dtp/nci :3993
references :
 
4-(hydroxymethyl)-2-methoxyphenol
fl. number :02.213
jecfa number :886
NIST Chemistry WebBook :869742710
pubchem :203633
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
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
soluble in :
 alcohol
 water, 2000 mg/L @ 20C
insoluble in :
 water
potential blenders :    note
 acetoinFL/FR
 acetoin acetateFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 acetyl isovalerylFL
 acetyl nonyrylFL/FR
 acetyl propionylFL/FR
 allyl methyl trisulfideFL
 allyl nonanoateFL/FR
6-amyl-alpha-pyroneFL/FR
para-anisyl acetateFL/FR
 benzoin absolute sumatraFL/FR
 benzyl alcoholFL/FR
 benzylidene acetoneFL
 betel leaf oilCS
isobutyl benzyl carbinolFL/FR
 butyl butyryl lactateFL/FR
 butyl lactateFL/FR
 butyl laevo-lactateFL/FR
 butyric acidFL
2-oxobutyric acidFL
gamma-butyrolactoneFL/FR
dextro-camphorFL/FR
 chavicolFL
 coconut decanoneFR
 coconut naphthalenoneFL/FR
 coumaneFL/FR
 coumarinFR
 creamy lactoneFL/FR
 dairy lactoneFL/FR
delta-decalactoneFL/FR
gamma-decalactoneFL/FR
6-decenoic acidFL
 deertongue absoluteFR
 deertongue oleoresinFR
 dehydromenthofurolactoneFL
 diacetylFL
 dihydrocoumarinFL
2,4-dihydroxybenzoic acidFL
2,6-dimethoxy-4-vinyl phenolFL
1,2-dimethoxybenzeneFL/FR
 dimethyl anthranilateFL/FR
2,3-dimethyl benzofuranFL
para-alpha-dimethyl styreneFL/FR
2,6-dimethyl thiophenolFL
 diphenyl oxideFL/FR
delta-2-dodecenolactoneFL/FR
2-ethoxythiazoleFL
4-ethyl guaiacolFL/FR
 ethyl palmitateFL/FR
para-ethyl phenolFL
 ethyl undecylenateFL/FR
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
 farnesyl acetoneFL/FR
 flouve absoluteFR
 guaiacolFL/FR
 guaiacyl acetateFL/FR
 hay absoluteFR
gamma-heptalactoneFL/FR
 heptanal 2,3-butane diol acetalFL
(Z)-4-hepten-1-alFL/FR
(Z)-4-hepten-1-al diethyl acetalFL/FR
(Z)-4-hepten-1-olFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
2'-hydroxyacetophenoneFL/FR
4-hydroxybenzoic acidFL
 immortelle absoluteFL/FR
 lovage oleoresinFL
 massoia lactoneFL
 mate absoluteFL/FR
 methionalFL
2'-methoxyacetophenoneFL/FR
 methyl (Z)-5-octenoateFL
 methyl 2-thiofuroateFL
 methyl benzoateFL/FR
6-methyl coumarinFL
7-methyl coumarinCS
 methyl coumarins 
3-methyl crotonic acidFL
4-methyl guaiacolFL/FR
 methyl laurateFL/FR
4-methyl octanoic acidFL
6-methyl quinolineFL/FR
4-methyl salicylaldehydeFL
4-methyl-2,6-dimethoxyphenolFL/FR
 mint lactoneFL/FR
 myrtenalFL/FR
delta-nonalactoneFL/FR
2-nonanolFL/FR
1-nonen-3-olFL/FR
 nutty cyclohexenoneFL/FR
 oakmoss concreteFR
2,4-octadien-1-olFL/FR
 octahydrocoumarinFL/FR
gamma-octalactoneFL/FR
3-octen-2-olFL/FR
 octyl 2-furoateFL
 octyl isobutyrateFL/FR
3-penten-2-oneFL
 phenyl pyruvic acidFL/FR
 pine needle absoluteFL/FR
 piperitenoneFL/FR
2-propyl phenolFL/FR
4-propyl phenolFL/FR
 pyroligneous acidsFL/FR
 sea resorcylateFR
 seaweed absoluteFL/FR
 strawberry furanone acetateFL/FR
 syringaldehydeFL/FR
delta-tetradecalactoneFL/FR
 thioguaiacolFL
beta-thujaplicinFR
meta-tolyl aldehydeFL/FR
para-tolyl aldehydeFL/FR
 tonka bean absoluteFR
 tonka bean oleoresinFR
 tonka bean resinoidFR
 tonka furanoneFL/FR
 tonka ketoneFR
 tonka undecanoneFR
 tonkavertFR
delta-undecalactoneFL/FR
gamma-undecalactoneFL/FR
 undecanoic acidFL/FR
 vanilla oleoresinFL/FR
 vanillic acidFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillyl ethyl etherFL/FR
 vanillyl isobutyrateFL/FR
 vanillylidene acetoneFL/FR
 verymossFR
4-vinyl phenolFL
 whiskey lactoneFL/FR
2,3-xylenolFL/FR
2,5-xylenolFL/FR
2,6-xylenolFR
 zingeroneFL/FR
potential uses :
 balsam
 coconut
 cream
 milk
 sweet
 vanilla
natural occurrence in :    note
 capsicum  

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