4-hydroxybenzyl alcohol
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IUPAC name :4-(hydroxymethyl)phenol
InChI :InChI=1/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
InChIKey :BVJSUAQZOZWCKN-UHFFFAOYAV
SMILES :C1=CC(=CC=C1CO)O
cas number :623-05-2
(EINECS) number :210-768-0
beilstein number :1858967
fema number :3987
jecfa number :955
fl. number :02.165
molar refractivity :34.58 ± 0.3 cm3
parachor :275.8 ± 4.0 cm3
index of refraction :1.595 ± 0.02
surface tension :54.1 ± 3.0 dyne/cm
density :1.220 ± 0.06 g/cm3
polarizability :13.71 ± 0.5 10-24cm3
XlogP : 0.80
molecular weight : 124.1372200
formula :C7 H8 O2
BioActivity Analysis :132125
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Penta :4-hydroxy benzyl alcohol
Sigma-Aldrich-SAFC :4-Hydroxybenzyl alcohol
≥98%

organoleptics :
odor type :coconut
odor strength :medium
odor description :
at 100.00 %.  
fruity sweet coconut

properties :
appearence :white powder
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 114.00 to 122.00 °C. @ 760.00 mm Hg
boiling point : 252.00 °C. @ 760.00 mm Hg
vapor pressure :0.00082 mm/Hg @ 25.00 °C.
flash point : 294.00  °F.  TCC  ( 145.56 °C. )
logP (o/w) : 0.25

safety :
most important hazard(s) :Xi - Irritant
  R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 22 - Do not breath dust.
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 :
Maximised Survey-derived Daily Intakes (MSDI-EU) :5.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.06 (μg/capita/day)
 
recommendation for 4-hydroxybenzyl alcohol usage levels up to :
  0.2000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 20
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : 5.0000025.00000
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 20.00000100.00000
fruit ices : 20.00000100.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : 15.0000075.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : --
soups : --
sugar substitutes : --
sweet sauces : --

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
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
 
WGK Germany :3
 
 
 
 4-(hydroxymethyl)phenol
(EINECS) number :210-768-0
chemidplus :000623052
EPA Substance Registry Services :623-05-2
dtp/nci :227926

references :
 4-(hydroxymethyl)phenol
fl. number :02.165
jecfa number :955
NIST Chemistry WebBook :650697687
pubchem :155483

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
alpha-hydroxy-para-cresol
para-hydroxybenzyl alcohol
(hydroxymethyl) phenol
4-(hydroxymethyl) phenol
4-(hydroxymethyl)phenol
4-methylol phenol
para-methylol phenol

soluble in :
 alcohol
 water, 6700 mg/L @ 20C

insoluble in :
 water

(odor and/or flavor) blends with :
 amyl heptanoate
isoamyl octanoate
6-amyl-alpha-pyrone
 coconut decanone
 coconut naphthalenone
 costus valerolactone
 creamy lactone
alpha-decalactone
delta-decalactone
gamma-decalactone
 dehydromenthofurolactone
5,5-dibutyl dihydrofuran-2(3H)-one
 dihydrojasmone lactone
 dimethyl benzofuranone
delta-dodecalactone
 dodecanol
delta-2-dodecenolactone
 ethyl undecanoate
 glyceryl 5-hydroxydecanoate
 glyceryl 5-hydroxydodecanoate
 heliotropin
delta-heptalactone
gamma-heptalactone
2-heptanone
 hexahydrocoumarin
gamma-hexalactone
 hexen-1-yl cyclopentanone
 jasmin lactone
 lauric acid
 massoia bark oil
 massoia lactone
 methyl (Z)-5-octenoate
6-methyl coumarin
7-methyl coumarin
 methyl heptadienone
 methyl laurate
 mint lactone
 myristyl alcohol
delta-nonalactone
gamma-nonalactone
delta-octalactone
gamma-octalactone
4-octen-3-one
2-pentyl cyclopentanone
 phthalide
 propyl octanoate
isopropyl octanoate
 tetrahydrojasmone
2-tridecanone
delta-undecalactone
 undecanoic acid
 whiskey lactone
 wine lactone

(odor and/or flavor) used in :
 amber
 fruit tropical fruit
 moss
 pina colada
 tonka
 tropical
 tuberose tubereuse

natural occurrence in :
found in nature



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