dihydroxyacetophenone (mixed isomers)
2,2-dihydroxy-1-phenylethanone

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  28631-86-9 3',4'-Dihydroxyacetophenone

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  04-21550 DIHYDROXYACETOPHENONE

Name: 2,2-dihydroxy-1-phenylethanone CAS Number: 28631-86-9 3D/inchi FDA UNII: Search Nikkaji Web: J888.400E Beilstein Number: 2437741 CoE Number: 11884 XlogP3: 0.50 (est) Molecular Weight: 152.14936000 Formula: C8 H8 O3 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: JECFA evaluated a mixture of dihydroxyacetophenones. 23-25% 2,3-isomer; 19-22% 2,4-isomer; 19-20% 2,5-isomer; 20-21% 3,4-isomer and 15-18% 3,5-isomer. (EFSA) Category:flavoring agents   US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: 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: 729 dihydroxyacetophenone (mixed isomers) DG SANTE Food Flavourings: 07.135 2,2-dihydroxyacetophenone FEMA Number: 3662 dihydroxyacetophenone (mixed isomers) FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 28631-86-9 ; DIHYDROXYACETOPHENONE   Physical Properties: Appearance: yellow crystals (est) Assay: 96.00 to 100.00 sum of isomers Additional Assay Information: mix of 1-(x,y-dihydroxyphenyl) ethanones Food Chemicals Codex Listed: No Melting Point: 90.00 to 92.00 °C. @ 760.00 mm Hg Boiling Point: 265.00 to 266.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.005000 mmHg @ 25.00 °C. (est) Flash Point: 263.00 °F. TCC ( 128.33 °C. ) logP (o/w): 1.163 (est) Soluble in:   alcohol   water, slightly   water, 6.943e+004 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: green vegetable green fatty nutty Odor Description:at 10.00 % in dipropylene glycol. vegetable green fatty nut vegetable green fatty nutty earthy powdery Odor Description:Vegetative, green, fatty and nutty with earthy, powdery nuances Mosciano, Gerard P&F 21, No. 3, 51, (1996) Flavor Type: green green vegetable fatty nutty mushroom peanut Taste Description: at 40.00 ppm. Green, vegetative, fatty and nutty with mushroom and peanut nuances Mosciano, Gerard P&F 21, No. 3, 51, (1996) Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 3',4'-Dihydroxyacetophenone Parchem dihydroxyacetophenone Penta International DIHYDROXYACETOPHENONE Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   Safety Information:   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: Not determined Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavoring agents Recommendation for dihydroxyacetophenone (mixed isomers) usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/day) 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: 13 Click here to view publication 13   average usual ppm average maximum ppm baked goods: - - beverages(nonalcoholic): - - beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: - - imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - 0.20000 milk products: - - 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... 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 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 ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :99611 National Institute of Allergy and Infectious Diseases:Data 2,2-dihydroxy-1-phenylethanone Chemidplus:0028631869   References:   2,2-dihydroxy-1-phenylethanone NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 28631-86-9 Pubchem (cid): 99611 Pubchem (sid): 135253470   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 HMDB (The Human Metabolome Database): Search VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor aldehydic octanal (aldehyde C-8) FL/FR undecanal FL/FR alliaceous dibutyl sulfide FL/FR dipropyl disulfide FL/FR ferula assa-foetida gum oil FL/FR methyl furfuryl disulfide FL/FR balsamic guaiyl acetate FL/FR caramellic 2-iso butyl-3-methyl pyrazine FL/FR fenugreek absolute FL/FR chocolate 2,5- dimethyl pyrazine FL/FR 2,4,5- trimethyl thiazole FL/FR citrus methyl heptenone FL/FR 2- tetradecenal FL/FR coumarinic phthalide FL/FR earthy 1- octen-3-ol FL/FR ethereal ethyl pyruvate FL/FR 2- methyl valeraldehyde FL/FR fatty 3- decen-2-one FL/FR (E,Z)-2,6- dodecadienal FL/FR methyl 2-hexenoate FL/FR 6- methyl-5-hepten-2-one propylene glycol acetal FL/FR 5- methyl-5-hexen-2-one FL/FR (E)-2- nonenal FL/FR 2- nonenal FL/FR 2- octenal FL/FR floral hexyl nonanoate FL/FR (Z)- rose oxide FL/FR fruity iso amyl octanoate FL/FR 2- heptyl butyrate FL/FR hexanal propylene glycol acetal FL/FR methyl 2-methyl butyrate FL/FR methyl 3-nonenoate FL/FR octen-1-yl cyclopentanone FL/FR 2- pentyl furan FL/FR tropical thiazole FL/FR (E)-2- undecenal FL/FR green acetaldehyde butyl phenethyl acetal FL/FR iso butyl methyl ketone FL/FR 2-iso butyl pyrazine FL/FR 2-iso butyl thiazole FL/FR cilantro leaf oil FL/FR cortex pyridine FL/FR cucumber essence FL/FR dodecanal dimethyl acetal FL/FR ethyl (E)-2-hexenoate FL/FR galbanum decatriene FL/FR geranium thiazole FL/FR heptanal (aldehyde C-7) FL/FR heptanal cyclic propylene acetal FL/FR 1- heptanol FL/FR 3- heptanone FL/FR (Z)-4- heptenal FL/FR 2- heptenal FL/FR 2- heptyl furan FL/FR hexanal (aldehyde C-6) FL/FR (Z)-4- hexen-1-ol FL/FR (Z)-2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl (E)-crotonate FL/FR (Z)-3- hexen-1-yl formate FL/FR (Z)-3- hexen-1-yl lactate FL/FR (Z)-3- hexen-1-yl phenyl acetate FL/FR (Z)-3- hexen-1-yl pyruvate FL/FR (Z)-3- hexen-1-yl tiglate FL/FR (Z)-3- hexenal FL/FR 4- hexenol FL/FR hexyl hexanoate FL/FR (Z)- leaf acetal FL/FR melon nonenoate FL/FR methyl heptine carbonate FL/FR nerol oxide FL/FR (E,Z)-2,6- nonadien-1-ol FL/FR 2,6- nonadien-1-ol FL/FR (Z,Z)-3,6- nonadien-1-ol FL/FR (E,Z)-3,6- nonadien-1-ol FL/FR (E,Z)-2,6- nonadien-1-yl acetate FL/FR (E,Z)-2,6- nonadienal FL/FR (Z)-2- nonen-1-ol FL/FR (E)-2- nonen-1-ol FL/FR 2- octen-1-ol FL/FR (E)-2- octen-1-yl acetate FL/FR 1- penten-3-ol FL/FR iso propyl decanoate FL/FR herbal 3- butylidene phthalide FL/FR 3- octyl acetate FL/FR 2- pentyl acetate FL/FR melon (Z)-6- nonen-1-ol FL/FR minty iso propyl tiglate FL/FR musty 3- acetyl-2,5-dimethyl furan FL/FR cocoa butenal FL/FR hazelnut pyrazine FL/FR menthofuran FL/FR nutty 2- acetyl-3-ethyl pyrazine FL/FR 2- acetyl-3-methyl pyrazine FL/FR 2,3- dimethyl pyrazine FL/FR 4,5- dimethyl-2-ethyl-3-thiazoline FL/FR 2- methyl pyrazine FL/FR 2- methyl thio-3,5 or 6-methyl pyrazine FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR vinyl sulfurol FL/FR popcorn 2- acetyl pyridine FL/FR spicy cumin seed absolute FL/FR cumin seed oil FL/FR sulfurous benzothiazole FL/FR dimethyl disulfide FL/FR dimethyl sulfide FL/FR grapefruit menthane FL/FR lychee mercaptan acetate FL/FR methyl 3-(methyl thio) propionate FL/FR 3-( methyl thio) hexanol FL/FR tonka 6- amyl-alpha-pyrone FL/FR vegetable 1- furfuryl pyrrole FL/FR mesityl oxide FL/FR methional FL/FR tetrahydrofurfuryl alcohol FL/FR waxy 9- decenoic acid FL/FR heptyl octanoate FL/FR methyl octanoate FL/FR 2,4- nonadien-1-ol FL/FR propyl decanoate FL/FR 2- tridecanone FL/FR woody alpha- farnesene FL/FR alpha- farnesene isomer FL/FR yeasty 2- octen-4-one FL/FR For Flavor No flavor group found for these iso butyl mercaptan FL 2-iso butyl pyrazine FL/FR 2-(2- butyl)-4,5-dimethyl-3-thiazoline FL 9- decen-2-one FL 2,5- diethyl-4-methyl thiazole FL diisopropyl sulfide FL dimethyl dihydrocyclopentapyrazine FL 6,7- dimethyl dihydrocyclopentapyrazine FL epoxy-2-decenal FL 2- ethyl-4,5-dimethyl oxazole FL furfuryl hexanoate FL guaiyl acetate FL/FR (E,E)-2,4- heptadien-1-ol FL heptanal cyclic propylene acetal FL/FR 2- heptenal FL/FR 2- heptyl butyrate FL/FR hexanal butane-2,3-diol acetal FL (Z)-3- hexen-1-yl (E)-crotonate FL/FR (E)-4- hexenal FL 2- hexenal FL hexyl (E)-2-hexenoate FL hexyl nonanoate FL/FR methyl 2-hexenoate FL/FR 6- methyl octanal FL 2- methyl thiazole FL 4-( methyl thio) butanol FL 2- methyl-3-(methyl thio) pyrazine FL/FR 6- methyl-5-hepten-2-one propylene glycol acetal FL/FR 2- methyl-5-methoxythiazole FL 2- methyl-6-propoxypyrazine FL 2- octenal FL/FR iso propyl decanoate FL/FR propyl decanoate FL/FR 2- propyl pyridine FL 2-iso propyl pyridine FL 2-iso propyl-3-(methyl thio) pyrazine FL 2- tetradecenal FL/FR (±)-3-( methyl thio) heptanal FL aldehydic aldehydic octanal (aldehyde C-8) FL/FR alliaceous allyl thiopropionate FL cyclopentyl mercaptan FL dipropyl disulfide FL/FR ferula assa-foetida gum oil FL/FR 2- methyl thioacetaldehyde FL 3- tetrahydrothiophenone FL tropical thiazole FL/FR apple (E,Z)-2,6- nonadien-1-ol FL/FR caramellic fenugreek absolute FL/FR fenugreek distillates FL celery 3- butylidene phthalide FL/FR citrus cilantro leaf oil FL/FR coffee difurfuryl ether FL methyl furfuryl disulfide FL/FR 2-iso propyl pyrazine FL corn 2- acetyl pyridine FL/FR coumarinic phthalide FL/FR creamy 6- amyl-alpha-pyrone FL/FR dairy 2- pentyl acetate FL/FR ethereal 5- methyl-5-hexen-2-one FL/FR fatty 2,4- decadienal FL (E,E)-2,4- heptadienal FL 2- heptyl furan FL/FR 2,4- nonadien-1-ol FL/FR (E,E)-2,4- nonadienal FL 2,4- nonadienal FL (Z)-2- nonen-1-ol FL/FR 2- nonenal FL/FR 2- octen-1-ol FL/FR (E)-2- octenoic acid FL 2- tridecanone FL/FR fruity iso amyl octanoate FL/FR ethyl (E)-2-hexenoate FL/FR 2,4- hexadien-1-ol FL hexanal propylene glycol acetal FL/FR hexyl hexanoate FL/FR methyl (E)-3-nonenoate FL methyl 2-methyl butyrate FL/FR methyl 3-nonenoate FL/FR octen-1-yl cyclopentanone FL/FR green acetaldehyde butyl phenethyl acetal FL/FR iso butyl methyl ketone FL/FR 2-iso butyl thiazole FL/FR 2-iso butyl-3-methyl pyrazine FL/FR cocoa butenal FL/FR cortex pyridine FL/FR cucumber essence FL/FR cynara scolymus leaf extract FL 3- decen-2-one FL/FR dibutyl sulfide FL/FR (E,Z)-2,6- dodecadienal FL/FR dodecanal dimethyl acetal FL/FR alpha- farnesene FL/FR alpha- farnesene isomer FL/FR galbanum decatriene FL/FR geranium thiazole FL/FR heptanal (aldehyde C-7) FL/FR (E)-2- heptenal FL (Z)-4- heptenal FL/FR 2,4- hexadienal FL hexanal (aldehyde C-6) FL/FR (Z)-4- hexen-1-ol FL/FR (Z)-2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl formate FL/FR (Z)-3- hexen-1-yl lactate FL/FR (Z)-3- hexen-1-yl phenyl acetate FL/FR (Z)-3- hexen-1-yl pyruvate FL/FR (Z)-3- hexen-1-yl tiglate FL/FR (Z)-3- hexenal FL/FR 2- hexyl pyridine FL horseradish oil FL (Z)- leaf acetal FL/FR melon nonenoate FL/FR methyl heptenone FL/FR methyl heptine carbonate FL/FR methyl octanoate FL/FR 4- methyl thiazole FL 3-(5- methyl-2-furyl) butanal FL 2- methyl-5-isopropyl pyrazine FL nerol oxide FL/FR 2,6- nonadien-1-ol FL/FR (E,Z)-3,6- nonadien-1-ol FL/FR (E,Z)-2,6- nonadien-1-yl acetate FL/FR (E,Z)-2,6- nonadienal FL/FR (E)-2- nonen-1-ol FL/FR (E)-2- nonenal FL/FR 2,4- octadienal FL (E,E)-2,4- octadienal FL (E)-2- octen-1-yl acetate FL/FR 3- octyl acetate FL/FR 4- penten-1-yl acetate FL 1- penten-3-ol FL/FR 2- pentyl furan FL/FR 2- propyl pyrazine FL iso propyl tiglate FL/FR propylene glycol acetone ketal FL (Z)- rose oxide FL/FR juicy lychee mercaptan acetate FL/FR ketonic 3- heptanone FL/FR malty yeast thiazoline FL meaty benzothiazole FL/FR 3- mercapto-3-methyl butanol FL metallic 4- hexenol FL/FR 3-( methyl thio) hexanol FL/FR mushroom 1- octen-3-ol FL/FR musty 2,5- dimethyl pyrazine FL/FR 2- ethoxythiazole FL hazelnut pyrazine FL/FR menthofuran FL/FR nutty 3- acetyl-2,5-dimethyl furan FL/FR 2- acetyl-3-ethyl pyrazine FL/FR 2- acetyl-3-methyl pyrazine FL/FR arachis hypogaea fruit extract FL 3,5- diethyl-2-methyl pyrazine FL 2,3- dimethyl pyrazine FL/FR 4,5- dimethyl-2-ethyl-3-thiazoline FL/FR 2- methyl pyrazine FL/FR 2- methyl thio-3,5 or 6-methyl pyrazine FL/FR nutty thiazole FL tetrahydrofurfuryl alcohol FL/FR 2,4,5- trimethyl thiazole FL/FR vinyl sulfurol FL/FR onion 2- methyl-1,3-dithiolane FL propyl thioacetate FL potato mesityl oxide FL/FR radish horseradish flavor FL roasted ethyl 3-(furfuryl thio) propionate FL rummy ethyl pyruvate FL/FR solvent 1- heptanol FL/FR spicy cumin seed absolute FL/FR cumin seed oil FL/FR jalapeno oleoresin FL sulfurous broccoli flavor FL dimethyl disulfide FL/FR dimethyl sulfide FL/FR furfuryl methyl sulfide FL grapefruit menthane FL/FR methyl 2-methyl-3-furyl disulfide FL methyl benzyl disulfide FL methyl thiomethyl butyrate FL potato butanone FL tomato methional FL/FR tropical 3- mercaptohexyl butyrate FL vegetable 1- furfuryl pyrrole FL/FR methyl 3-(methyl thio) propionate FL/FR 2- methyl valeraldehyde FL/FR 2- octen-4-one FL/FR radish isothiocyanate FL waxy 9- decenoic acid FL/FR heptyl octanoate FL/FR (Z,Z)-3,6- nonadien-1-ol FL/FR (Z)-6- nonen-1-ol FL/FR undecanal FL/FR (E)-2- undecenal FL/FR   Potential Uses: FL green FL mushroom FL nut FL peanut FL vegetable   Occurrence (nature, food, other):note   found in nature   Synonyms:   acetophenone, 2,2-dihydroxy-   dihydroxy 1-phenylethanone 2,2- dihydroxy-1-phenyl-ethanone 2,2- dihydroxy-1-phenylethanone 2,2- dihydroxy-1-phenylethanone (mixed isomers) 2,2- dihydroxyacetophenone   dihydroxyphenyl ethanone (mixed isomers)   dihydroxyphenyl methyl ketone (mixed isomers) 1-(x,y- dihydroxyphenyl) ethanones (mixed isomers)   dioxyacetophenone (mixed isomers)   ethanone, 2,2-dihydroxy-1-phenyl-   Articles:   None found yet. 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Notes: None found