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
(EINECS) number :210-768-0
cas number :623-05-2
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
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
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
logp : 0.25

safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :5.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.06 (μg/capita/day)
flash point ( Deg. F. ) : 294.00  °F.  TCC  ( 145.56 °C. )
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).
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
 
 
 4-(hydroxymethyl)phenol
(EINECS) number :210-768-0
chemidplus :000623052
EPA Substance Registry Services :623-05-2
NLM Chemical Carcinogenesis Research Information System :623-05-2
NLM Developmental and Reproductive Toxicity :623-05-2
NLM Env. Mutagen Info. Center :623-05-2
NLM GENetic TOXicology :623-05-2
dtp/nci :227926

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

other :
synonyms :
alpha-hydroxy-para-cresol
4-hydroxybenzyl alcohol
para-hydroxybenzyl alcohol
(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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