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4'-hydroxyacetophenone

Chemical Structure

General Material Information

Preferred name 4'-hydroxyacetophenone
Trivial Name 4′-Hydroxyacetophenone
Short Description symsave H (Symrise)
Formula C8 H8 O2
CAS Number 99-93-4
FEMA Number 4330
Flavis Number 7.243
ECHA Number 202-802-8
FDA UNII G1L3HT4CMH
Nikkaji Number Process for produc
Beilstein Number 0774355
MDL MFCD00002359
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 2040 4-hydroxyacetophenone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 99-93-4 ; 4-HYDROXYACETOPHENONE
Synonyms
  • p-oxy acetophenone
  • para-oxy acetophenone
  • acetophenone, 4'-hydroxy-
  • acetophenone, p-hydroxy-
  • 4-acetyl phenol
  • p- acetyl phenol
  • para- acetyl phenol
  • 1-acetyl-4-hydroxybenzene
  • 4-acetylphenol
  • p- acetylphenol
  • para- acetylphenol
  • ethanone, 1-(4-hydroxyphenyl)-
  • 4'- hydroxy-acetophenone
  • 4-hydroxyacetophenone
  • p- hydroxyacetophenone
  • para- hydroxyacetophenone
  • p- hydroxyphenyl methyl ketone
  • para- hydroxyphenyl methyl ketone
  • 1-(4-hydroxyphenyl) ethanone
  • (4-hydroxyphenyl)ethan-1-one
  • 1-(4-hydroxyphenyl)ethan-1-one
  • 1-(4-hydroxyphenyl)ethanone
  • methyl p-hydroxyphenyl ketone
  • methyl para-hydroxyphenyl ketone
  • phenol, p-acetyl-
  • piceol
  • symsave H (Symrise)
  • 1-(4-hydroxyphenyl)ethanone
  • Acetophenone, 4′-hydroxy-
  • 4-Acetylphenol
  • p-Hydroxyacetophenone
  • p-Hydroxyphenyl methyl ketone
  • p-Acetylphenol
  • 4′-Hydroxyacetophenone
  • 4-Hydroxyphenyl methyl ketone
  • p-Acetophenol
  • 1-(4-Hydroxyphenyl)-1-ethanone
  • Methyl 4-hydroxyphenyl ketone
  • 4-Acetophenol
  • 4-Hydroxyphenylethanone
  • NSC 3698
  • 4-Hydroxyacetopenone
  • Symsave H
  • Symsave

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

1-(4-hydroxyphenyl)ethanone
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:99-93-4
Pubchem (cid):7469
Pubchem (sid):134972216
Pherobase:View
Publications by PubMed
Inhibition of xanthine oxidase by Rhodiola crenulata extracts and their phytochemicals.
Acaricidal potentials of active properties isolated from Cynanchum paniculatum and acaricidal changes by introducing functional radicals.
Computational analysis for hepatic safety signals of constituents present in botanical extracts widely used by women in the United States for treatment of menopausal symptoms.
Mast cell-dependent allergic responses are inhibited by ethanolic extract of adlay (Coix lachryma-jobi L. var. ma-yuen Stapf) testa.
[Studies on chemical constituents of Saussurea laniceps].
Exudation of allelopathic substances in buckwheat (Fagopyrum esculentum Moench).
Chemical constituents of cape aloe and their synergistic growth-inhibiting effect on Ehrlich ascites tumor cells.
Degradation of bisphenol A by Bacillus pumilus isolated from kimchi, a traditionally fermented food.
Chemistry and antioxidative factors in rosemary and sage.
Isolation and structural elucidation of two new glycosides from sage (Salvia officinalis L.).
Acetophenone glycosides from thyme (Thymus vulgaris L.).
Purification and Properties of an S-Adenosylmethionine: 2,4-Disubstituted Phenol O-Methyltransferase from Phanerochaete chrysosporium.
Publications by J-Stage
Oxidative Degradation of 4-Hydroxyacetophenone in Arthrobacter sp. TGJ4

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
Metabolomics Database:Search
UM BBD:Search
KEGG (GenomeNet):C10700
HMDB (The Human Metabolome Database):Search
FooDB:FDB010503
Export Tariff Code:2914.50.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:4-Hydroxyacetophenone

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 136.15016174316
Melting Point 109 to 110°C @ 760 mm Hg
Boiling Point 147 to 148°C @ 3 mm Hg
Boiling Point 285 to 287°C @ 760 mm Hg
Vapor Pressure 0.0003 mmHg @ 25 °C
Flash Point TCC Value 121.11 °C TCC
logP (o/w) 1.35
Solubility
alcohol Yes
water, 9900 mg/L @ 22 °C (exp) Yes

Organoleptic Properties

Odor Type: Floral
sweet, hawthorn, balsamic, mimosa
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 400 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 10.00 % in dipropylene glycol. mild sweet hawthorn balsam mimosa

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
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.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-mouse LD50 [sex: M] 1780 mg/kg
(Procter & Gamble Company, 1977)

intraperitoneal-mouse LD50 200 mg/kg
National Technical Information Service. Vol. AD277-689

oral-mouse LD50 1500 mg/kg
Medicina Experimentalis. Vol. 11, Pg. 137, 1964.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
cosmetic and flavor agents
Recommendation for 4'-hydroxyacetophenone usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.016 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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 Flavor Ingredient Library
publication number: 23
Click here to view publication 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
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 60 (FGE.60): Consideration of eugenol and related hydroxyallylbenzene derivatives evaluated by JECFA (65th meeting) structurally related to ring- substituted phenolic substances evaluated by EFSA in FGE.22 (2006)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):99-93-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7469
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-(4-hydroxyphenyl)ethanone
Chemidplus:0000099934
RTECS:AM8750000 for cas# 99-93-4