alpha-isopropyl phenyl acetaldehyde
3-methyl-2-phenylbutyraldehyde

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Name: 2-cyclohexyl-3-methylbutanal CAS Number: 2439-44-3 3D/inchi ECHA EINECS - REACH Pre-Reg: 219-461-6 FDA UNII: OC2500269O Nikkaji Web: J216.079J MDL: MFCD11934481 CoE Number: 135 XlogP3-AA: 2.70 (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: 1463 3-methyl-2-phenylbutyraldehyde DG SANTE Food Flavourings: 05.097 3-methyl-2-phenylbutyraldehyde FEMA Number: 2738 3-methyl-2-phenylbutyraldehyde FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 2439-44-3 ; 3-METHYL-2-PHENYLBUTYRALDEHYDE 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: 96.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.97200 to 0.98200 @ 25.00 °C. Pounds per Gallon - (est).: 8.088 to 8.171 Refractive Index: 1.49500 to 1.50100 @ 20.00 °C. Boiling Point: 238.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.052000 mmHg @ 25.00 °C. (est) Flash Point: 214.00 °F. TCC ( 101.11 °C. ) logP (o/w): 3.005 (est) Soluble in:   alcohol   dipropylene glycol   water, 237.5 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: green green fruity Odor Description:at 10.00 % in dipropylene glycol. green fruity Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Aston Chemical For experimental / research use only. Benzeneacetaldehyde, a-(1-methylethyl)- Parchem alpha-isopropyl phenyl acetaldehyde 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 alpha-isopropyl phenyl acetaldehyde usage levels up to:   1.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 0.07 (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: 3 Click here to view publication 3   average usual ppm average maximum ppm baked goods: - - beverages(nonalcoholic): - 0.10000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 0.50000 fruit ices: - 0.50000 gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: 0.32000 0.50000 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): Flavouring Group Evaluation 55 (FGE.55): Consideration of phenyl-substituted aliphatic alcohols and related aldehydes and esters evaluated by JECFA (63rd meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives evaluated by EFSA in FGE.15 (2005) (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 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 :12255414 National Institute of Allergy and Infectious Diseases:Data 2-cyclohexyl-3-methylbutanal Chemidplus:0002439443   References:   2-cyclohexyl-3-methylbutanal NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 2439-44-3 Pubchem (cid): 12255414 Pubchem (sid): 135262963   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): HMDB33562 FooDB: FDB011631 ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these (E)- tiglaldehyde FL/FR balsamic balsamic iso amyl benzoate FL/FR propyl cinnamate FL/FR tetrahydrofurfuryl cinnamate FL/FR citrus citral dimethyl acetal FL/FR (E)-4- decenal FL/FR 2- heptanol FL/FR ethereal 2- methyl valeraldehyde FL/FR iso valeraldehyde propylene glycol acetal FL/FR fatty 3- decen-2-one FL/FR hexyl pivalate FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR fermented 3- methyl-1-pentanol FL/FR floral alpha- amyl cinnamaldehyde diethyl acetal FR anisyl propanal / methyl anthranilate schiff's base FR boronia absolute FL/FR citronellyl propionate FL/FR cuminyl acetaldehyde FL/FR gamma- damascone FR dimethyl benzyl carbinol FL/FR 2,4- dimethyl cyclohexyl methyl acetate FR 6,8- dimethyl-2-nonanol FR ethyl 2-benzyl butyrate FL/FR farnesyl acetate FL/FR (E)- geranyl acetone FL/FR hydroxycitronellal diethyl acetal FL/FR lily propanol FR ocean propanal / methyl anthranilate schiff's base FR papaya isobutyrate FL/FR phenyl acetaldehyde diisobutyl acetal FL/FR iso propyl phenyl acetate FL/FR laevo- rose oxide FL/FR styralyl formate FL/FR terpinyl isobutyrate FL/FR fruity acetaldehyde dihexyl acetal FL/FR allyl amyl glycolate FR allyl butyrate FL/FR iso amyl butyrate FL/FR amyl hexanoate FL/FR iso amyl isovalerate FL/FR iso amyl octanoate FL/FR benzyl methyl ether FL/FR berry pentadienoate FL/FR butyl 2-methyl butyrate FL/FR butyl isobutyrate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR 2- cyclopentyl cyclopentanone FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl 2-cyclohexyl propionate FR ethyl 2-octenoate FL/FR ethyl 3-acetoxyhexanoate FL/FR ethyl 3,5,5-trimethyl hexanoate FR ethyl acetoacetate FL/FR ethyl methyl-para-tolyl glycidate FL/FR geranyl isovalerate FL/FR heptanal cyclic ethylene acetal FR heptyl isobutyrate FL/FR hexanal propylene glycol acetal FL/FR 2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl 2-methyl-2-pentenoate FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl (E)-tiglate FL/FR hexyl acetate FL/FR hexyl isovalerate FL/FR hexyl propionate FL/FR linalyl hexanoate FL/FR methyl 3-nonenoate FL/FR 2- methyl butyl 2-methyl butyrate FL/FR methyl heptanoate FL/FR methyl valerate FL/FR nerolidyl isobutyrate FR octen-1-yl cyclopentanone FL/FR octyl butyrate FL/FR peach pivalate FR 2- pentyl furan FL/FR 4- phenyl-2-butyl acetate FL/FR pineapple pentenoate FL/FR prenol FL/FR prenyl ethyl ether FL/FR prenyl hexanoate FL/FR iso propyl 2-methyl butyrate FL/FR rhubarb undecane FR tetrahydrofurfuryl butyrate FL/FR tropical indene FR tropical thiazole FL/FR green acetaldehyde benzyl 2-methoxyethyl acetal FL/FR acetaldehyde methyl hexyl acetal FR iso amyl 3-(2-furan) propionate FL/FR iso amyl formate FL/FR iso butyl benzyl carbinol FL/FR 2-iso butyl thiazole FL/FR chrysanthemum oxide FL/FR cognac heptanone FL/FR cumin acetaldehyde FL/FR alpha- decalactone FL/FR decanal propylene glycol acetal FL/FR ethyl (E)-2-hexenoate FL/FR ethyl (E)-4-decenoate FL/FR green dioxolane FR (Z)-3- hexen-1-yl (E)-2-hexenoate FL/FR (E)-2- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl formate FL/FR (E)-2- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl propionate FL/FR (E)-2- hexen-1-yl valerate FL/FR (Z)-3- hexen-1-yl valerate FL/FR 3- hexenal FL/FR 2- hexenyl acetate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR hexyl octanoate FL/FR 2,4- ivy carbaldehyde FL/FR ivy carbaldehyde / methyl anthranilate schiff's base FR ivy dioxolane FR leafy oxime FR manzanate (Givaudan) FL/FR methyl cyclocitrone (IFF) FR 4- methyl-4-phenyl pentanone FR narcissus flower absolute FR octyl oxyacetaldehyde FR (E)-2- pentenal FL/FR phenethyl acetal FR phenoxyacetaldehyde 50% in benzyl alcohol FR phenoxyethyl isobutyrate FL/FR phenyl acetaldehyde FL/FR 3- phenyl propionaldehyde FL/FR iso propyl quinoline FR sorbyl isobutyrate FL/FR thiogeraniol FL/FR violet dienyne FR herbal clary sage absolute FL/FR tricyclodecyl acetate FR marine marine hexane FR sulfurous buchu mercaptan FL/FR tropical beta- cyclocitral FL/FR waxy allyl nonanoate FL/FR 9- decenoic acid FL/FR (E)- methyl geranate FL/FR octyl 2-methyl butyrate FL/FR woody verdoxan FR woody acetate FR For Flavor No flavor group found for these acetaldehyde benzyl 2-methoxyethyl acetal FL/FR allyl tiglate FL 2- cyclopentyl cyclopentanone FL/FR alpha- decalactone FL/FR decanal propylene glycol acetal FL/FR ethyl 2-benzyl butyrate FL/FR ethyl 3-acetoxyhexanoate FL/FR (E,E)-2,4- heptadien-1-ol FL 2- hexenal FL 2- hexenal diethyl acetal FL 2- hexenyl acetate FL/FR hexyl (E)-2-hexenoate FL hexyl propionate FL/FR linalyl hexanoate FL/FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR methyl 4-pentenoate FL (E)- methyl geranate FL/FR 2- methyl-2-octenal FL (E)-2- methyl-2-octenal FL 3- methyl-3-pentanol FL (E,E)-3,5- octadien-2-one FL 4- phenyl-2-butyl acetate FL/FR prenyl ethyl ether FL/FR prenyl hexanoate FL/FR styralyl formate FL/FR terpinyl isobutyrate FL/FR tetrahydrofurfuryl cinnamate FL/FR (E)- tiglaldehyde FL/FR iso amyl 3-(2-furan) propionate FL/FR sorbyl isobutyrate FL/FR alliaceous alliaceous tropical thiazole FL/FR amber iso butyl benzyl carbinol FL/FR berry heptyl isobutyrate FL/FR citrus citral dimethyl acetal FL/FR cognac heptanone FL/FR cooling manzanate (Givaudan) FL/FR cucumber 2- ethyl octine carbonate FL earthy 1- hexen-3-yl acetate FL estery ethyl acetoacetate FL/FR fatty ethyl (E)-4-decenoate FL/FR floral citronellyl propionate FL/FR farnesyl acetate FL/FR (E)- geranyl acetone FL/FR laevo- rose oxide FL/FR fruity iso amyl benzoate FL/FR amyl hexanoate FL/FR iso amyl octanoate FL/FR benzyl methyl ether FL/FR berry pentadienoate FL/FR boronia absolute FL/FR butyl 2-methyl butyrate FL/FR butyl isobutyrate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl (E)-2-hexenoate FL/FR ethyl (E)-2-octenoate FL ethyl 2-octenoate FL/FR ethyl methyl-para-tolyl glycidate FL/FR furfuryl propionate FL 2- heptanol FL/FR hexanal propylene glycol acetal FL/FR 2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl (E)-2-hexenoate FL/FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl acetate FL/FR methyl (E)-3-nonenoate FL methyl 3-nonenoate FL/FR 2- methyl butyl 2-methyl butyrate FL/FR methyl heptanoate FL/FR methyl valerate FL/FR octen-1-yl cyclopentanone FL/FR pineapple pentenoate FL/FR prenol FL/FR iso propyl 2-methyl butyrate FL/FR propyl cinnamate FL/FR tetrahydrofurfuryl butyrate FL/FR iso valeraldehyde propylene glycol acetal FL/FR green acetaldehyde dihexyl acetal FL/FR allyl butyrate FL/FR iso amyl formate FL/FR iso amyl isovalerate FL/FR 2-iso butyl thiazole FL/FR chrysanthemum oxide FL/FR cumin acetaldehyde FL/FR cuminyl acetaldehyde FL/FR 3- decen-2-one FL/FR (E)-4- decenal FL/FR geranyl isovalerate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (E)-2- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl propionate FL/FR (E)-2- hexen-1-yl valerate FL/FR (Z)-3- hexen-1-yl valerate FL/FR 3- hexenal FL/FR (E)-2- hexenal diethyl acetal FL hexyl (E)-tiglate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR hexyl isovalerate FL/FR hexyl octanoate FL/FR 2,4- ivy carbaldehyde FL/FR methyl 2-undecynoate FL papaya isobutyrate FL/FR (E)-2- pentenal FL/FR 2- pentyl furan FL/FR phenoxyethyl isobutyrate FL/FR phenyl acetaldehyde diisobutyl acetal FL/FR 3- phenyl propionaldehyde FL/FR thiogeraniol FL/FR herbal clary sage absolute FL/FR honey phenyl acetaldehyde FL/FR iso propyl phenyl acetate FL/FR medicinal dimethyl benzyl carbinol FL/FR melon hydroxycitronellal diethyl acetal FL/FR rummy (E)-2- hexen-1-yl formate FL/FR sour 3- methyl valeric acid FL sulfurous buchu mercaptan FL/FR tropical beta- cyclocitral FL/FR vegetable 2- methyl valeraldehyde FL/FR waxy allyl nonanoate FL/FR iso amyl butyrate FL/FR 9- decenoic acid FL/FR octyl 2-methyl butyrate FL/FR octyl butyrate FL/FR whiskey 3- methyl-1-pentanol FL/FR   Potential Uses: FR fruit FR green FR hyacinth FR magnolia FR sweet pea   Occurrence (nature, food, other):note   not found in nature   Synonyms:   benzeneacetaldehyde, a-(1-methylethyl)- 2- cyclohexyl-3-methylbutanal alpha-(1- methyl ethyl) benzene acetaldehyde 3- methyl-2-phenyl butanal 3- methyl-2-phenyl butyraldehyde 3- methyl-2-phenylbutanal 3- methyl-2-phenylbutyraldehyde alpha-(1- methylethyl) benzeneacetaldehyde alpha- phenyl isopentanal alpha- phenyl isovaleraldehyde alpha-iso- propyl phenyl acetaldehyde alpha-iso propyl phenylacetaldehyde alpha-iso- propyl phenylacetaldehyde a-iso propylphenylacetaldehyde   Articles:   None found yet. 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Notes: Used as a food additive [EAFUS]