benzoin
2-hydroxy-2-phenylacetophenone

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  B0079 Benzoin >98.0%(GC)
  SDS

Name: 2-hydroxy-1,2-diphenylethanone CAS Number: 119-53-9 3D/inchi Other(deleted CASRN): 579-44-2 ECHA EINECS - REACH Pre-Reg: 204-331-3 FDA UNII: L7J6A1NE81 Nikkaji Web: J20.621K Beilstein Number: 0391839 MDL: MFCD00004496 CoE Number: 162 XlogP3: 2.10 (est) Molecular Weight: 212.24804000 Formula: C14 H12 O2 BioActivity Summary: listing NMR Predictor: Predict (works with chrome, Edge or firefox) Also(can) Contains: (R)-benzoin   (S)-benzoin Category:flavor and fragrance 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: 836 benzoin DG SANTE Food Flavourings: 07.028 benzoin FEMA Number: 2132 benzoin FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 119-53-9 ; BENZOIN FDA Regulation: FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. FDA PART 73 -- LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION Subpart A--Foods Sec. 73.100 Cochineal extract; carmine.   Physical Properties: Appearance: pale yellow crystalline monoclinic prisms (est) Assay: 98.00 to 100.00 Additional Assay Information: racemate Food Chemicals Codex Listed: No Melting Point: 137.00 to 138.00 °C. @ 760.00 mm Hg Melting Point: 132.00 to 137.00 °C. @ 760.00 mm Hg Boiling Point: 194.00 °C. @ 12.00 mm Hg Boiling Point: 344.00 °C. @ 760.00 mm Hg Flash Point: 311.00 °F. TCC ( 154.80 °C. ) (est) logP (o/w): 2.130 Soluble in:   acetone   alcohol   water, 300 mg/L @ 25 °C (exp)   Organoleptic Properties: Odor Type: balsamic balsamic vanilla medicinal camphoreous Odor Description:at 10.00 % in dipropylene glycol. balsamic vanilla medicinal camphoreous Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: Augustus Oils Benzoin Powder Services BOC Sciences For experimental / research use only. Benzoin Carbosynth For experimental / research use only. Benzoin EMD Millipore For experimental / research use only. Benzoin sds Glentham Life Sciences Benzoin Parchem Benzoin Penta International BENZOIN POWDER NATURAL Penta International BENZOIN POWDER Santa Cruz Biotechnology For experimental / research use only. Benzoin Sigma-Aldrich For experimental / research use only. Benzoin analytical standard TCI AMERICA For experimental / research use only. Benzoin >98.0%(GC) sds   Safety Information: Preferred SDS: View European information : Most important hazard(s): None - None found. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.   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-rat LD50 10000 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 871, 1973. oral-mouse LD50 > 3000 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 359, 1984. Dermal Toxicity: skin-rabbit LD50 8870 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 871, 1973. Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavor and fragrance agents RIFM Fragrance Material Safety Assessment: Search IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice Recommendation for benzoin usage levels up to:   2.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 6.20 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 21.00 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 0.064 (μg/person/day) Threshold of Concern: 90 (μg/person/day) Structure Class: III 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: 3 Click here to view publication 3   average usual ppm average maximum ppm baked goods: - 1.40000 beverages(nonalcoholic): - 4.50000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 0.54000 fruit ices: - 0.54000 gelatins / puddings: - 0.10000 granulated sugar: - - gravies: - - hard candy: - 2.00000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - soups: - - sugar substitutes: - - sweet sauces: - -   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): 0.00003 0.00035 Fats and oils, and fat emulsions (type water-in-oil) (02.0): - - Edible ices, including sherbet and sorbet (03.0): - - Processed fruit (04.1): - - Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 0.00016 0.00170 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): - - Bakery wares (07.0): - - Meat and meat products, including poultry and game (08.0): - - Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): - - Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): - - Foodstuffs intended for particular nutritional uses (13.0): - - Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.00016 0.00140 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): - - Ready-to-eat savouries (15.0): - - Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): - -   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): Flavouring Group Evaluation 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf Scientific Opinion on Flavouring Group Evaluation 69, Revision 1 (FGE.69Rev1): consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting), structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16Rev2 View page or View pdf EPI System: View ClinicalTrials.gov:search Daily Med:search NIOSH International Chemical Safety Cards:search Chemical Carcinogenesis Research Information System:Search AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search Carcinogenic Potency Database:Search EPA GENetic TOXicology:Search EPA Substance Registry Services (TSCA):119-53-9 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :8400 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 2-hydroxy-1,2-diphenylethanone Chemidplus:0000119539 EPA/NOAA CAMEO:hazardous materials RTECS:119-53-9   References:   2-hydroxy-1,2-diphenylethanone NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 119-53-9 Pubchem (cid): 8400 Pubchem (sid): 134974550   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 KEGG (GenomeNet): C01408 HMDB (The Human Metabolome Database): HMDB32039 FooDB: FDB012830 YMDB (Yeast Metabolome Database): YMDB00336 Export Tariff Code: 2914.49.4000 ChemSpider: View Wikipedia: View   Potential Blenders and core components note For Odor anisic para- acetanisole FL/FR ortho- anisaldehyde FL/FR balsamic siam benzoin absolute FL/FR sumatra benzoin absolute FL/FR benzoin absolute replacer FL/FR sumatra benzoin gum FL/FR siam benzoin resin FL/FR sumatra benzoin resin FL/FR benzoin resin replacer FR siam benzoin resinoid FL/FR sumatra benzoin resinoid FL/FR benzoin resinoid replacer FR 1- benzoyl acetone FL/FR iso bornyl formate FL/FR peru balsam oil FL/FR peru balsam replacer FR peru balsam resinoid FL/FR camphoreous dextro- camphor FL/FR melaleuca viridiflora leaf oil FR chocolate vanillyl ethyl ether FL/FR coumarinic coumane FL/FR creamy para- vanillic acid FL/FR para- vanillyl alcohol FL/FR veratraldehyde FL/FR floral para- cresyl laurate FL/FR heliotropin FL/FR fruity vanilla carboxylate FL/FR herbal 1,8- cineole FL/FR eucalyptus globulus oil FL/FR eucalyptus oil replacer FR piperitone FL/FR rosemary oleoresin FL/FR white thyme oil FL/FR thyme oil (thymus zygis gracillis) spain FL/FR red thyme oil spain FL/FR thymol FL/FR minty menthoxypropane diol FL/FR vanillin menthoxypropane diol acetal FL/FR naphthyl 2,4- dimethyl benzaldehyde FL/FR 1- methyl naphthalene FL/FR phenolic ethyl vanillate FL/FR ortho- guaiacol FL/FR powdery para- anisyl acetate FL/FR smoky alpha- ethoxy-ortho-cresol FL/FR spicy para- anisyl formate FL/FR cardamom oil replacer FR dianthus ethone FR elettaria cardamomum seed oil FL/FR elettaria cardamomum seed oil guatemala FL/FR (E)-para- methoxycinnamaldehyde FL/FR para- methoxycinnamaldehyde FL/FR 4- methyl guaiacol FL/FR zingerone FL/FR sweet vanilla oleoresin bali FL/FR vanilla resinoid FL/FR tonka coumarin FR vanilla acetovanillone FL/FR ortho- dimethyl hydroquinone FL/FR ethyl vanillin FL/FR ethyl vanillin isobutyrate FL/FR ethyl vanillin propylene glycol acetal FL/FR heliotropyl alcohol FL/FR methyl vanillate FL/FR propenyl guaethol FL/FR vanilla bean absolute (vanilla planifolia) FL/FR vanilla cresol FR vanillin FL/FR vanillin 2,3-butylene glycol acetal FL/FR vanillin propylene glycol acetal FL/FR vanillyl acetate FL/FR vanillyl butyl ether FL/FR vanillyl isobutyrate FL/FR vanillylidene acetone FL/FR woody guaiacyl acetate FL/FR 4- hydroxybenzaldehyde FL/FR For Flavor No flavor group found for these 1- benzoyl acetone FL/FR coumane FL/FR ortho- dimethyl hydroquinone FL/FR alpha- ethoxy-ortho-cresol FL/FR glucoethyl vanillin FL heliotropyl alcohol FL/FR (E)-para- methoxycinnamaldehyde FL/FR 4- methoxysalicylaldehyde FL 3- methyl cyclohexanone FL methyl vanillate FL/FR vanillin menthoxypropane diol acetal FL/FR vanillyl butyl ether FL/FR anisic anisic para- acetanisole FL/FR ortho- anisaldehyde FL/FR balsamic benzoin absolute replacer FL/FR sumatra benzoin gum FL/FR sumatra benzoin resin FL/FR siam benzoin resin FL/FR sumatra benzoin resinoid FL/FR siam benzoin resinoid FL/FR peru balsam FL peru balsam oil FL/FR peru balsam resinoid FL/FR vanillylidene acetone FL/FR cherry heliotropin FL/FR para- methoxycinnamaldehyde FL/FR coconut 6- methyl coumarin FL cooling menthoxypropane diol FL/FR creamy divanillin FL ethyl vanillate FL/FR 4- hydroxybenzaldehyde FL/FR para- vanillic acid FL/FR para- vanillyl alcohol FL/FR veratraldehyde FL/FR fruity para- anisyl acetate FL/FR vanilla carboxylate FL/FR herbal eucalyptus globulus oil FL/FR rosemary oleoresin FL/FR white thyme oil FL/FR thyme oil (thymus zygis gracillis) spain FL/FR red thyme oil spain FL/FR medicinal dextro- camphor FL/FR minty 1,8- cineole FL/FR piperitone FL/FR naphthyl 2,4- dimethyl benzaldehyde FL/FR 1- methyl naphthalene FL/FR nutty furfural acetone FL phenolic thymol FL/FR powdery powdery ketone FL rummy vanillyl ethyl ether FL/FR spicy para- anisyl formate FL/FR siam benzoin absolute FL/FR sumatra benzoin absolute FL/FR elettaria cardamomum seed oil FL/FR elettaria cardamomum seed oil guatemala FL/FR 4- methyl guaiacol FL/FR zingerone FL/FR sweet vanilla oleoresin bali FL/FR vanilla resinoid FL/FR vanilla acetovanillone FL/FR ethyl vanillin FL/FR ethyl vanillin isobutyrate FL/FR ethyl vanillin propylene glycol acetal FL/FR propenyl guaethol FL/FR vanilla bean absolute (vanilla planifolia) FL/FR vanillin FL/FR vanillin 2,3-butylene glycol acetal FL/FR vanillin propylene glycol acetal FL/FR vanillyl acetate FL/FR vanillyl isobutyrate FL/FR waxy para- cresyl laurate FL/FR woody iso bornyl formate FL/FR ortho- guaiacol FL/FR guaiacyl acetate FL/FR   Potential Uses: FL vanilla   Occurrence (nature, food, other):note   not found in nature   Synonyms: (±)- benzoin (RS)- benzoin   benzoyl phenyl carbinol bitter almond oil camphor 1,2- diphenyl-1-hydroxy-2-ethanone   ethanone, 2-hydroxy-1,2-diphenyl- (±)-2- hydroxy-1,2-diphenyl ethan-1-one (1)-2- hydroxy-1,2-diphenyl ethan-1-one 2- hydroxy-1,2-diphenyl ethanone 2- hydroxy-1,2-diphenyl-ethanone 2- hydroxy-1,2-diphenylethan-1-one (±)-2- hydroxy-1,2-diphenylethanone 2- hydroxy-1,2-diphenylethanone 2- hydroxy-2-phenyl acetophenone (±)-2- hydroxy-2-phenylacetophenone 2- hydroxy-2-phenylacetophenone 2- hydroxy-2-pheylacetophenone a- hydroxy-a-phenylacetophenone alpha- hydroxy-alpha-phenyl acetophenone a- hydroxybenzyl phenyl ketone alpha- hydroxybenzyl phenyl ketone   ketone, a-hydroxybenzyl phenyl   nisso cure MB   phenyl benzoyl carbinol   Articles:   None found yet. Try the PubMed Search.

Notes: a white crystalline compound prepared by condensation of benzaldehyde in potassium cyanide and used in organic syntheses. this should not be confused with benzoin gum from styrax. Benzoin is an organic compound with the formula PhCH(OH)C(O)Ph. It is a hydroxy ketone attached to two phenyl groups. It appears as off-white crystals, with a light camphor-like odor. Benzoin is synthesized from benzaldehyde in the benzoin condensation. It is chiral and it exists as a pair of enantiomers: (R)-benzoin and (S)-benzoin. (Wikipedia) Flavouring ingredient Benzoin is an organic compound with the formula PhCH(OH)C(O)Ph. It is a hydroxy ketone attached to two phenyl groups. It appears as off-white crystals, with a light camphor-like odor. Benzoin is synthesized from benzaldehyde in the benzoin condensation. It is chiral and it exists as a pair of enantiomers: (R)-benzoin and (S)-benzoin. (Wikipedia)