4-(para-tolyl)-2-butanone
4-(p-tolyl)-2-butanone

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  7774-79-0 4-(4-Methylphenyl)-2-butanone

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Name: 4-(4-methylphenyl)butan-2-one CAS Number: 7774-79-0 3D/inchi FDA UNII: B98IK70Y98 Nikkaji Web: J1.536.526I CoE Number: 160 XlogP3-AA: 2.20 (est) Molecular Weight: 162.23178000 Formula: C11 H14 O NMR Predictor: Predict (works with chrome, Edge or firefox) 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: 817 4-(p-tolyl)-2-butanone DG SANTE Food Flavourings: 07.026 4-(p-tolyl)butan-2-one FEMA Number: 3074 4-(p-tolyl)-2-butanone FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 7774-79-0 ; 4-(P-TOLYL)-2-BUTANONE 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.   Physical Properties: Appearance: colorless clear oily liquid (est) Assay: 97.00 to 100.00 Equivalence Factor for Assay: racemate Food Chemicals Codex Listed: No Specific Gravity: 0.98100 to 0.98800 @ 25.00 °C. Pounds per Gallon - (est).: 8.163 to 8.221 Refractive Index: 1.50300 to 1.50800 @ 20.00 °C. Boiling Point: 243.00 to 244.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.029000 mmHg @ 25.00 °C. (est) Flash Point: 221.00 °F. TCC ( 105.00 °C. ) logP (o/w): 2.491 (est) Soluble in:   alcohol   water, very slightly   water, 479.2 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: fruity sweet fruity floral raspberry plum gardenia Odor Description:at 1.00 % in dipropylene glycol. very sweet fruity floral raspberry plum gardenia Flavor Type: fruity sweet fruity Taste Description: intense sweet deep fruit Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 4-(4-Methylphenyl)-2-butanone Parchem 4-(para-tolyl)-2-butanone 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: 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 4-(para-tolyl)-2-butanone usage levels up to:   1.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 0.40 (μg/capita/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: 3 Click here to view publication 3   average usual ppm average maximum ppm baked goods: - 6.00000 beverages(nonalcoholic): - 1.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 1.50000 fruit ices: - 1.50000 gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: - 6.00000 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: - -   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 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf 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 Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21 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 AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :5463908 National Institute of Allergy and Infectious Diseases:Data 4-(4-methylphenyl)butan-2-one Chemidplus:0007774790   References:   4-(4-methylphenyl)butan-2-one NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 7774-79-0 Pubchem (cid): 5463908 Pubchem (sid): 135264836   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): HMDB36183 FooDB: FDB015037 ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR aldehydic aldehydic 3- methyl-4-hexyl oxybutyraldehyde FR balsamic benzyl cinnamate FL/FR cinnamyl formate FL/FR ethyl cinnamate FL/FR guaiyl butyrate FR berry currant fragrance FR gooseberry fragrance FR huckleberry fragrance FR raspberry ketone methyl ether FL/FR caramellic maltyl isobutyrate FL/FR citrus (R)- citronellyl nitrile FR citronitrile (Symrise) FR 2- heptanol FL/FR fatty butyl undecylenate FL/FR 4- ethyl octanoic acid FL/FR fermented methyl decanoate FL/FR floral acetal 318 FR iso amyl angelate FL/FR alpha- amyl cinnamaldehyde FL/FR para- anisyl butyrate FL/FR benzyl acetate FL/FR benzyl acetoacetate FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR blue lagoon fragrance FR boronia specialty FR cassie specialty (acacia farnesiana) FR cherry blossom fragrance FR (S)- citronellyl acetate FL/FR citronellyl acetate FL/FR citronellyl butyrate FL/FR citronellyl formate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR (E)- citronellyl tiglate FL/FR 3- cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester FR cymbopogon validus leaf oil FR beta- damascenone FL/FR gamma- damascone FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR dimethyl benzyl carbinyl butyrate FL/FR 3,6- dimethyl-3-octyl acetate FR ethyl 2-benzyl butyrate FL/FR ethyl anthranilate FL/FR ethyl ethyl anthranilate FL/FR ethyl ortho-anisate FL/FR eucalyptus macarthurii oil FR pink frangipani absolute FR gardenia absolute FR gardenia decalone FR geraniol FL/FR geranyl isobutyrate FL/FR hibiscus fragrance FR hyacinth ether FR ionone mixed isomers FL/FR jasmin cyclopentanone FR jasmin fragrance FR jasmin oil CO2 extract FL/FR jasmin specialty FR iso jasmone FL/FR linalyl butyrate FL/FR longoza absolute replacer FR magnolia flower oil CO2 extract FL/FR magnolia specialty FR menthadienyl formate FR ortho- methoxybenzyl ethyl ether FR methoxymelonal FL/FR 1-(2- methyl allyl oxy)-3-methoxy-3-methyl-1-butane FR para- methyl benzyl acetate FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR alpha-iso methyl ionone (90% min.) FL/FR methyl ionyl acetate FL/FR white nelumbo nucifera flower absolute FR pink nelumbo nucifera flower absolute FR white nelumbo nucifera flower concrete FR 3- nonanon-1-yl acetate FL/FR orris rhizome concrete butter (iris pallida) FL/FR orris rhizome concrete replacer FR osmanthus absolute replacer FR osmanthus concrete FL/FR petitgrain lemon oil FL/FR petitgrain mandarin oil FL/FR phenethyl acetate FL/FR phenethyl isobutyrate FL/FR phenethyl isovalerate FL/FR phenyl glycol diacetate FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR 4- phenyl-3-buten-2-ol FL/FR iso propyl benzoate FL/FR propyl salicylate FR (S)- rhodinol FL/FR rhodinyl butyrate FL/FR rose undecene FR souroubea specialty FR star fruit oil cuba FL/FR stephanotis flower absolute replacer FR styralyl propionate FL/FR terpinyl valerate FL/FR tetrahydroionyl acetate FR fruity allyl benzoate FR iso amyl propionate FL/FR apple crotonate FR red apple fragrance FR apricot essence FL/FR apricot isobutyrate FR benzaldehyde / methyl anthranilate schiff's base FR benzyl propionate FL/FR benzyl valerate FL/FR 3- benzyl-4-heptanone FL/FR berry hexanoate FR butyl 2-naphthyl ether FL/FR iso butyl anthranilate FL/FR butyl anthranilate FL/FR butyl formate FL/FR iso butyl furyl propionate FL/FR citronellyl isobutyrate FL/FR (Z)-beta- damascone FL/FR beta- damascone FL/FR (E)-beta- damascone FL/FR decanal methyl enol ether FL/FR alpha,alpha- dimethyl benzyl isobutyrate FL/FR (R)-gamma- dodecalactone FL/FR eriocephalus punctulatus flower oil FR ethyl 4-phenyl butyrate FL/FR ethyl levulinate FL/FR ginsene FR guava fragrance FR heptyl isobutyrate FL/FR hexyl formate FL/FR linalool oxide acetates FL/FR melon fragrance FR 3- mercaptohexyl acetate FL/FR methyl (Z)-3-hexenoate FL/FR methyl bicycloheptenyl methyloxirane carboxylate FR methyl isobutyrate FL/FR (E)-7- methyl-3-octen-2-one FL/FR (±)-3- methyl-gamma-decalactone FL/FR myrascone FR 2- nonanone propylene glycol acetal FL/FR alpha- ocimene FL/FR papaya fragrance FR papaya specialty FR peach nitrile FR 3- phenyl propyl isovalerate FL/FR plum crotonate FR plum damascone (high alpha) FR propyl isobutyrate FL/FR prune glycidate FR rhubarb pyran FR sambucus canadensis fruit absolute FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR (R)- styralyl acetate FL/FR thesaron (Takasago) FR tropical indene FR tropical ionone FL/FR tropical thiazole FL/FR cis- woody acetate FR green iso amyl 3-(2-furan) propionate FL/FR iso amyl formate FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR iso green methanoindene FR heptanal dimethyl acetal FL/FR heptyl formate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR hexoxyacetaldehyde dimethyl acetal FR 1- penten-3-ol FL/FR 1-[(3aS,7aR)-3a,4,7,7a- tetrahydro-1H-inden-6-yl]ethanone FR herbal chamomile isobutyrate FR chamomile propionate FR chamomile valerate FR clary propyl acetate FR geranium cyclohexane FR marigold absolute (tagetes patula) FR methyl cyclogeranate (Firmenich) FR iso nonyl acetate FR tagete oil madagascar FL/FR viridiflorol FL/FR medicinal ortho- cresyl acetate FL/FR melon melon specialty FR mentholic laevo- menthyl acetate FL/FR powdery para- anisyl acetate FL/FR alpha- methyl ionone FL/FR (E)-alpha- methyl ionone (74-80%) FL/FR spicy para- anisyl formate FL/FR crocus sativus stigma tincture FR honey extract CS spicy acetoacetate FL/FR sulfurous buchu mercaptan FL/FR cassis pentanone FL/FR passiflora acetate FL/FR tropical triflaige A (ZEON) FR tropical 3-thiobutyrate FL/FR waxy dihydrocitronellyl acetate FL/FR (E)- methyl geranate FL/FR phytyl acetate FL/FR woody 2- decalinyl acetate FR melozol acetate FR rhubarb oxirane FR yeasty 2- octen-4-one FL/FR For Flavor No flavor group found for these 1- acetyl cyclohexyl acetate FL iso amyl 3-methyl thiopropionate FL iso amyl angelate FL/FR amyl angelate FL benzyl valerate FL/FR butyl 2-naphthyl ether FL/FR butyl formate FL/FR 2- butyl thiophene FL ortho- cresyl acetate FL/FR 2,4- difurfuryl furan FL dihydrocitronellyl acetate FL/FR S-(2,5- dimethyl-3-furyl) ethane thioate FL (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR (R)-gamma- dodecalactone FL/FR ethyl 2-benzyl butyrate FL/FR ethyl 3-hydroxyoctanoate FL ethyl 3-octenoate FL ethyl 4-phenyl butyrate FL/FR ethyl ethyl anthranilate FL/FR ethyl ortho-anisate FL/FR 2- hexenal FL 4- hydroxyphenethyl alcohol FL ionone mixed isomers FL/FR linalool oxide acetates FL/FR magnolia flower oil CO2 extract FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR (E)- methyl geranate FL/FR 2- nonanone propylene glycol acetal FL/FR alpha- ocimene FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR 3- phenyl propyl isovalerate FL/FR iso propyl benzoate FL/FR (S)- rhodinol FL/FR (R)- styralyl acetate FL/FR viridiflorol FL/FR vitispirane FL iso amyl 3-(2-furan) propionate FL/FR benzyl acetoacetate FL/FR iso butyl furyl propionate FL/FR beta- damascone FL/FR decanal methyl enol ether FL/FR alliaceous alliaceous tropical thiazole FL/FR anisic para- anisyl butyrate FL/FR balsamic ethyl cinnamate FL/FR berry heptyl isobutyrate FL/FR raspberry ketone methyl ether FL/FR burnt ethyl 2-furoate FL citrus petitgrain lemon oil FL/FR petitgrain mandarin oil FL/FR styralyl propionate FL/FR ethereal methyl isobutyrate FL/FR fatty 4- ethyl octanoic acid FL/FR heptyl formate FL/FR methyl decanoate FL/FR (E)-7- methyl-3-octen-2-one FL/FR floral (S)- citronellyl acetate FL/FR citronellyl acetate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR dimethyl benzyl carbinyl butyrate FL/FR geraniol FL/FR geranyl isobutyrate FL/FR jasmin oil CO2 extract FL/FR linalyl butyrate FL/FR 2- methyl butyl 3-methyl butenoate FL (E)-alpha- methyl ionone (74-80%) FL/FR alpha-iso methyl ionone (90% min.) FL/FR orris rhizome concrete butter (iris pallida) FL/FR rhodinyl butyrate FL/FR tropical ionone FL/FR fruity iso amyl propionate FL/FR para- anisyl acetate FL/FR apricot essence FL/FR benzyl acetate FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR benzyl propionate FL/FR 3- benzyl-4-heptanone FL/FR iso butyl anthranilate FL/FR butyl anthranilate FL/FR citronellyl butyrate FL/FR citronellyl formate FL/FR citronellyl isobutyrate FL/FR (Z)-beta- damascone FL/FR (E)-beta- damascone FL/FR alpha,alpha- dimethyl benzyl isobutyrate FL/FR ethyl anthranilate FL/FR ethyl levulinate FL/FR 2- heptanol FL/FR 2- hexyl-4-acetoxytetrahydrofuran FL methoxymelonal FL/FR methyl (Z)-3-hexenoate FL/FR methyl 4-phenyl butyrate FL para- methyl benzyl acetate FL/FR methyl formate FL alpha- methyl ionone FL/FR 3- nonanon-1-yl acetate FL/FR osmanthus concrete FL/FR phenethyl isovalerate FL/FR 2- phenyl-4-pentenal FL propyl isobutyrate FL/FR sambucus canadensis fruit absolute FL/FR star fruit oil cuba FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR tagete oil madagascar FL/FR terpinyl valerate FL/FR green iso amyl formate FL/FR cassis pentanone FL/FR (E)- citronellyl tiglate FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR heptanal dimethyl acetal FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR hexyl formate FL/FR iso jasmone FL/FR 1- penten-3-ol FL/FR honey phenethyl acetate FL/FR phenethyl isobutyrate FL/FR jammy maltyl isobutyrate FL/FR minty laevo- menthyl acetate FL/FR nutty phytyl acetate FL/FR spicy para- anisyl formate FL/FR benzyl cinnamate FL/FR cinnamyl formate FL/FR spicy acetoacetate FL/FR sulfurous buchu mercaptan FL/FR methyl 2-(methyl thio) butyrate FL methyl thiomethyl butyrate FL tropical 3-thiobutyrate FL/FR tropical alpha- amyl cinnamaldehyde FL/FR 3- mercaptohexyl acetate FL/FR passiflora acetate FL/FR vegetable 2- octen-4-one FL/FR waxy butyl undecylenate FL/FR (±)-3- methyl-gamma-decalactone FL/FR 4- phenyl-3-buten-2-ol FL/FR woody beta- damascenone FL/FR methyl ionyl acetate FL/FR   Potential Uses: FR fruit FR gardenia FR plum FR raspberry   Occurrence (nature, food, other):note   not found in nature   Synonyms: 2- butanone, 4-(4-methylphenyl)- 2- butanone, 4-p-tolyl- p- methyl benzyl acetone para- methyl benzyl acetone 4-(4- methyl phenyl)-2-butanone p- methylbenzyl acetone para- methylbenzyl acetone p- methylbenzylacetone   methylbenzylacetone, p- 4-(4- methylphenyl)-2-butanone 4-(4- methylphenyl)butan-2-one 4-(p- tolyl) butan-2-one 4-(para- tolyl) butan-2-one 4-(4- tolyl)-2-butanone 4-(p- tolyl)-2-butanone 4-(p- tolyl)butan-2-one   Articles:   None found yet. 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Notes: Flavouring ingredient