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2,2-dihydroxy-1-phenylethanone
Notes:
None found
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 28631-86-9 3',4'-Dihydroxyacetophenone
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 04-21550 DIHYDROXYACETOPHENONE
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| CAS Number: | 28631-86-9 |  3D/inchi
|
| 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 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 CSA |
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
Potential Uses:
| green | FL | |
| mushroom | FL | |
| nut | FL | |
| peanut | FL | |
| vegetable | FL |
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- |