4'-hydroxyacetophenone
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IUPAC name :1-(4-hydroxyphenyl)ethanone
InChI :InChI=1/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
InChIKey :TXFPEBPIARQUIG-UHFFFAOYAU
SMILES :CC(=O)C1=CC=C(C=C1)O
cas number :99-93-4
(EINECS) number :202-802-8
beilstein number :0774355
fema number :4330
fl. number :07.243
molar refractivity :38.16 ± 0.3 cm3
parachor :307.4 ± 4.0 cm3
index of refraction :1.552 ± 0.02
surface tension :43.9 ± 3.0 dyne/cm
density :1.140 ± 0.06 g/cm3
polarizability :15.12 ± 0.5 10-24cm3
XlogP : 1.50
molecular weight : 136.1479200 (IUPAC)
formula :C8 H8 O2
BioActivity Analysis :70138
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Nanjing :4'-Hydroxyacetophenone
orders in chinese only.
Penta :4'-hydroxyacetophenone
Sigma-Aldrich-Aldrich :4'-Hydroxyacetophenone
99%
If you get a cover box over Sigma-aldrich web page, click here to set your country of origin.
TCI AMERICA :4'-Hydroxyacetophenone
>98.0%(LC)(T)
organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description¹ :
at 10.00 % in dipropylene glycol.  		mild sweet hawthorn balsam mimosa
substantivity :400  Hour(s)
properties :
appearence :white to beige powder
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 109.00 to 110.00 °C. @ 760.00 mm Hg
boiling point : 147.00 to 148.00 °C. @ 3.00 mm Hg
vapor pressure :0.00748 mm/Hg @ 25.00 °C.
flash point : 250.00  °F.  TCC  ( 121.11 °C. )
logP (o/w) : 1.35
safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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) : 
  Oral-Mouse    1500.00  mg/kg

Intraperitoneal-Mouse    200.00  mg/kg

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.016 (μg/capita/day)
Structure Class :I
Category :flavoring agents
 
recommendation for 4'-hydroxyacetophenone fragrance usage levels up to :
 not for fragrance use.
 
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 : 23
 average usual ppmaverage maximum ppm
baked goods : 0.100000.50000
beverages(nonalcoholic) : 1.000005.00000
beverages(alcoholic) : 1.000005.00000
breakfast cereal : --
cheese : 0.010000.05000
chewing gum : --
condiments / relishes : 0.010000.05000
confectionery froastings : 1.000005.00000
egg products : --
fats / oils : --
fish products : 0.010000.05000
frozen dairy : 0.010000.05000
fruit ices : 0.100000.50000
gelatins / puddings : 0.010000.05000
granulated sugar : --
gravies : 0.010000.05000
hard candy : --
imitation dairy : 0.010000.05000
instant coffee / tea : --
jams / jellies : --
meat products : 0.010000.05000
milk products : 0.010000.05000
nut products : --
other grains : --
poultry : 0.010000.05000
processed fruits : 0.010000.05000
processed vegetables : 0.010000.05000
reconstituted vegetables : --
seasonings / flavors : 0.010000.05000
snack foods : 0.010000.05000
soft candy : --
soups : 0.010000.05000
sugar substitutes : --
sweet sauces : 0.010000.05000
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
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
1-(4-hydroxyphenyl)ethanone
(EINECS) number :202-802-8
RTECS :AM8750000 for cas# 99-93-4
chemidplus :000099934
EPA Substance Registry Services :99-93-4
references :
 
1-(4-hydroxyphenyl)ethanone
fl. number :07.243
NIST Chemistry WebBook :3419523591
pubchem :150540
other :
reference : Luebke, William tgsc, (1987)¹
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
para-oxyacetophenone
4-acetyl phenol
para-acetyl phenol
4-hydroxyacetophenone
para-hydroxyacetophenone
para-hydroxyphenyl methyl ketone
1-(4-hydroxyphenyl) ethanone
1-(4-hydroxyphenyl)ethanone
 methyl para-hydroxyphenyl ketone
 piceol
soluble in :
 alcohol
 water, 9900 mg/L @ 22C
insoluble in :
 water
potential blenders :    note
 acetophenoneFL/FR
ortho-anisaldehydeFL/FR
para-anisaldehydeFL/FR
para-anisaldehyde / methyl anthranilate schiff's baseFR
para-anisaldehyde dimethyl acetalFL/FR
 anisonitrileFR
para-anisyl acetaldehydeFL/FR
para-anisyl alcoholFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 earthy indaneFR
para-ethyl acetophenoneCS
 hawthorn carbinolFL/FR
 heliotropyl acetateFL/FR
4'-hydroxyacetophenoneFL
 methyl acetophenoneFL/FR
(R)-2-phenyl propyl alcoholFL/FR
 propiophenoneFL/FR
 propyl 4-hydroxybenzoateFL/FR
isopropyl anthranilateFL/FR
potential uses :
 almond
 ambreine
 amyris
 ash mountain ash
 azalea
 baby powder
 balsam
 bean locust bean
 beeswax cire d'abeille
 benzoin
 cardamom
 cistus
 copaiba
 coronilla
 davana
 elemi
 evergreen
 fir
 fir balsam
 fir needle
 galbanum
 habuba
 hawthorn
 heather
 hugonia
 incense
 juniperberry
 labdanum
 leather
 liverwort
 mastic
 mimosa wattle
 musk
 myrrh
 opoponax
 patchouli
 peru balsam
 pine
 pine dwarf pine
 pine needle
 pine scotch pine
 pinon cone
 styrax
 tobacco tabac tabaco
 tolu balsam
 valerian
 vanilla
 vetiver
 woody
natural occurrence in :    note
 cloudberry  
 coffee  
 cranberry S
 mango S
 sherry  
 wort  

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