| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 99-93-4 |
| ECHA EC Number: | 202-802-8 |
| FDA UNII: | G1L3HT4CMH |
| Category: | cosmetic and flavor agents |
| IUPAC Name: | 4'-hydroxyacetophenone |
| InChI : | InChI=1/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3 |
| Std.InChI: | InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3 |
| InChIKey : | TXFPEBPIARQUIG-UHFFFAOYAU |
| Std.InChIKey: | TXFPEBPIARQUIG-UHFFFAOYSA-N |
| SMILES : | CC(=O)C1=CC=C(C=C1)O |
| MDL: | MFCD00002359 |
| Molar Refractivity : | 38.16 ± 0.3 cm3 (est) |
| Parachor : | 307.4 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.552 ± 0.02 (est) |
| Surface Tension : | 43.9 ± 3.0 dyne/cm (est) |
| Density : | 1.140 ± 0.06 g/cm3 (est) |
| Polarizability : | 15.12 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 2040 4-hydroxyacetophenone |
| DG SANTE Food Flavourings: | 07.243 4-hydroxyacetophenone |
| FEMA Number: | 4330 4-hydroxyacetophenone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 99-93-4 ; 4-HYDROXYACETOPHENONE |
| Appearance: | white to beige crystalline powder (est) |
| Assay: | 95.00 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 |
| Boiling Point: | 285.00 to 287.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000300 mmHg @ 25.00 °C. (est) |
| Flash Point: | 250.00 °F. TCC ( 121.11 °C. ) |
| logP (o/w): | 1.350 |
| Soluble in: | |
| alcohol | |
| water, 9900 mg/L @ 22 °C (exp) | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | antioxidants |
| Alfa Biotechnology |
| For experimental / research use only. |
| 4'-Hydroxyacetophenone 98% |
| BOC Sciences |
| For experimental / research use only. |
| p-Hydroxyacetophenone |
| Parchem |
| 4'-hydroxyacetophenone |
| Penta International |
| p-HYDROXYACETOPHENONE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 4'-Hydroxyacetophenone |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 4'-Hydroxyacetophenone 99% |
| Symrise |
| SymSave® H Odor: characteristic Use: SymSave® H is a patent pending, nature identical multi-functional ingredient with soothing, anti-oxidant and preservative boosting properties. SymSave® H provides an affordable and flexible option to reduce or even eliminate certain preservatives and offers an excellent solution for difficult formulations like sunscreens and shampoos. SymSave® H is a FEMA/GRAS listed ingredient (FEMA# 4330). |
| TCI AMERICA |
| For experimental / research use only. |
| 4'-Hydroxyacetophenone >98.0%(LC)(T) |
| 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 | |
| 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 ppm | average maximum ppm | ||
| baked goods: | 0.10000 | 0.50000 | |
| beverages(nonalcoholic): | 1.00000 | 5.00000 | |
| beverages(alcoholic): | 1.00000 | 5.00000 | |
| breakfast cereal: | - | - | |
| cheese: | 0.01000 | 0.05000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 0.01000 | 0.05000 | |
| confectionery froastings: | 1.00000 | 5.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | 0.01000 | 0.05000 | |
| frozen dairy: | 0.01000 | 0.05000 | |
| fruit ices: | 0.10000 | 0.50000 | |
| gelatins / puddings: | 0.01000 | 0.05000 | |
| granulated sugar: | - | - | |
| gravies: | 0.01000 | 0.05000 | |
| hard candy: | - | - | |
| imitation dairy: | 0.01000 | 0.05000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.01000 | 0.05000 | |
| milk products: | 0.01000 | 0.05000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | 0.01000 | 0.05000 | |
| processed fruits: | 0.01000 | 0.05000 | |
| processed vegetables: | 0.01000 | 0.05000 | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.01000 | 0.05000 | |
| snack foods: | 0.01000 | 0.05000 | |
| soft candy: | - | - | |
| soups: | 0.01000 | 0.05000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.01000 | 0.05000 | |
| 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/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 3.00000 | 15.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 2.00000 | 10.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 3.00000 | 15.00000 | |
| Processed fruit (04.1): | 2.00000 | 10.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 4.00000 | 20.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 2.00000 | 10.00000 | |
| Bakery wares (07.0): | 5.00000 | 25.00000 | |
| Meat and meat products, including poultry and game (08.0): | 1.00000 | 5.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 1.00000 | 5.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 2.00000 | 10.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 3.00000 | 15.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 10.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 4.00000 | 20.00000 | |
| Ready-to-eat savouries (15.0): | 5.00000 | 25.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 2.00000 | 10.00000 | |
| 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 |
| 1-(4-hydroxyphenyl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 99-93-4 |
| Pubchem (cid): | 7469 |
| Pubchem (sid): | 134972216 |
| Pherobase: | View |
| (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 |
| FL | almond |
| FR | ambreine |
| FR | amyris |
| FR | ash mountain ash |
| FR | azalea |
| FR | baby powder |
| FR | balsam |
| FL/FR | carob bean locust bean |
| FR | beeswax absolute replacer |
| FL/FR | benzoin absolute replacer |
| FR | cardamom oil replacer |
| FL/FR | cistus |
| FL/FR | copaiba balsam |
| FR | coronilla |
| FR | davana oil replacer |
| FR | elemi |
| FR | evergreen |
| fir | |
| FR | fir balsam |
| FR | fir needle oil replacer |
| FR | galbanum |
| FR | habuba |
| FR | hawthorn |
| FR | heather |
| FR | hugonia |
| FR | incense |
| FR | juniper berry |
| FR | labdanum |
| FR | leather |
| liverwort | |
| FR | mastic oil replacer |
| FL | mimosa |
| FR | musk |
| FR | myrrh |
| FR | opoponax |
| FR | patchouli oil replacer |
| FR | peru balsam |
| FR | pine |
| FL/FR | pine needle |
| FL/FR | pine scotch pine |
| FR | pinion |
| FR | styrax |
| FR | tobacco |
| FR | tolu balsam |
| FL/FR | valerian |
| FL | vanilla |
| FR | vetiver |
| FR | woody |
| 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) |
