ethyl 4-phenyl butyrate
ethyl 4-phenylbutyrate

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  10308 Ethyl 4-phenylbutyrate

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  E1027 Ethyl 4-phenylbutyrate >98.0%(GC)

Name: ethyl 4-phenylbutanoate CAS Number: 10031-93-3 3D/inchi FDA UNII: BU9R7P5U55 Nikkaji Web: J81.451B MDL: MFCD00026923 CoE Number: 307 XlogP3: 3.10 (est) Molecular Weight: 192.25792000 Formula: C12 H16 O2 BioActivity Summary: listing NMR Predictor: Predict (works with chrome 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: 1458 ethyl 4-phenylbutyrate FLAVIS Number: 09.728 (Old) DG SANTE Food Flavourings: 09.728 ethyl 4-phenylbutyrate FEMA Number: 2453 ethyl 4-phenylbutyrate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm: ETHYL 4-PHENYLBUTYRATE 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 Boiling Point: 275.00 to 276.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.005000 mm/Hg @ 25.00 °C. (est) Flash Point: 237.00 °F. TCC ( 113.89 °C. ) logP (o/w): 3.263 (est) Soluble in:   alcohol   water, 44.15 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: fruity Odor Strength:medium , recommend smelling in a 10.00 % solution or less sweet fruity plum Odor Description:at 10.00 % in dipropylene glycol. sweet fruity plum Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Beijing Lys Chemicals Ethyl 4-phenylbutyrate BOC Sciences For experimental / research use only. Ethyl 4-phenylbutyrate 95% Penta International ETHYL-4-PHENYLBUTYRATE Santa Cruz Biotechnology For experimental / research use only. Ethyl 4-phenylbutyrate sds Sigma-Aldrich: Aldrich For experimental / research use only. Ethyl 4-phenylbutyrate sds TCI AMERICA For experimental / research use only. Ethyl 4-phenylbutyrate >98.0%(GC)   Safety Information: Preferred SDS: View   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 Recommendation for ethyl 4-phenyl butyrate usage levels up to:   2.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (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   average usual ppm average maximum ppm baked goods: - - beverages(nonalcoholic): 0.06000 1.00000 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: - 0.06000 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 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :61452 National Institute of Allergy and Infectious Diseases:Data ethyl 4-phenylbutanoate Chemidplus:0010031933   References:   ethyl 4-phenylbutanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 10031-93-3 Pubchem (cid): 61452 Pubchem (sid): 135017165   Other Information: (IUPAC): Atomic Weights of the Elements 2009 (IUPAC): Atomic Weights of the Elements 2009 (pdf) Videos: The Periodic Table of Videos tgsc: Atomic Weights use for this web site (IUPAC): Periodic Table of the Elements FDA Everything Added to Food in the United States (EAFUS): View HMDB (The Human Metabolome Database): HMDB31618 FooDB: FDB008256 Export Tariff Code: 2916.39.7900 ChemSpider: View   Potential Blenders and core components note For Odor balsamic ethyl cinnamate FL/FR guaiyl butyrate FR caramellic maltyl isobutyrate FL/FR earthy octyl phenyl acetate FL/FR floral para- anisyl butyrate FL/FR bois de rose oil brazil FL/FR citronellyl acetate FL/FR citronellyl formate FL/FR coranol (Firmenich) FR beta- damascenone FL/FR dihydrolinalool FL/FR dimethyl benzyl carbinyl butyrate FL/FR 3,6- dimethyl-3-octanol FL/FR ethyl linalool FR ethyl linalyl acetal FR ethyl linalyl acetate FR ethyl linalyl ether FL/FR ho leaf oil FR ho wood oil FR linalool FL/FR laevo- linalool FL/FR dextro- linalool FL/FR linalool oxide FL/FR linalyl anthranilate FL/FR petitgrain mandarin oil FL/FR phenethyl acetate FL/FR 1- phenyl propyl butyrate FL/FR propyl salicylate FR tetrahydrolinalool FL/FR fruity iso amyl propionate FL/FR apple crotonate FR apricot isobutyrate FR artemisia pallens herb oil FL/FR 3- benzyl-4-heptanone FL/FR butyl anthranilate FL/FR butyl formate FL/FR cyclohexyl acetate FL/FR beta- damascone FL/FR (Z)-beta- damascone FL/FR (E)-beta- damascone FL/FR dimethyl benzyl carbinyl isobutyrate FR alpha,alpha- dimethyl benzyl isobutyrate FL/FR fig crotonate FR hexyl formate FL/FR 3- phenyl propyl isovalerate FL/FR plum crotonate FR propyl isobutyrate FL/FR prune glycidate FR 4-(para- tolyl)-2-butanone FL/FR tropical indene FR tropical ionone FL/FR tropical thiazole FL/FR green iso amyl 3-(2-furan) propionate FL/FR iso amyl formate FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR heptanal dimethyl acetal FL/FR heptyl formate FL/FR 1- penten-3-ol FL/FR herbal viridiflorol FL/FR powdery para- anisyl acetate FL/FR spicy cubeb oil FL/FR sulfurous buchu mercaptan FL/FR cassis pentanone FL/FR passiflora acetate FL/FR tropical tropical 3-thiobutyrate FL/FR woody amber carbinol FR yeasty 2- octen-4-one FL/FR For Flavor No flavor group found for these iso amyl 3-methyl thiopropionate FL butyl formate FL/FR ethyl 3-octenoate FL ethyl linalyl ether FL/FR 2- hexenal FL dextro- linalool FL/FR octyl phenyl acetate FL/FR 1- phenyl propyl butyrate FL/FR 3- phenyl propyl isovalerate FL/FR viridiflorol FL/FR iso amyl 3-(2-furan) propionate FL/FR beta- damascone FL/FR alliaceous alliaceous tropical thiazole FL/FR anisic para- anisyl butyrate FL/FR balsamic ethyl cinnamate FL/FR citrus laevo- linalool FL/FR linalool FL/FR petitgrain mandarin oil FL/FR fatty heptyl formate FL/FR floral bois de rose oil brazil FL/FR citronellyl acetate FL/FR dihydrolinalool FL/FR dimethyl benzyl carbinyl butyrate FL/FR linalyl anthranilate FL/FR tetrahydrolinalool FL/FR tropical ionone FL/FR fruity iso amyl propionate FL/FR para- anisyl acetate FL/FR artemisia pallens herb oil FL/FR 3- benzyl-4-heptanone FL/FR butyl anthranilate FL/FR citronellyl formate FL/FR (Z)-beta- damascone FL/FR (E)-beta- damascone FL/FR alpha,alpha- dimethyl benzyl isobutyrate FL/FR methyl formate FL propyl isobutyrate FL/FR 4-(para- tolyl)-2-butanone FL/FR green iso amyl formate FL/FR cassis pentanone FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR heptanal dimethyl acetal FL/FR hexyl formate FL/FR linalool oxide FL/FR 1- penten-3-ol FL/FR herbal 3,6- dimethyl-3-octanol FL/FR honey phenethyl acetate FL/FR jammy maltyl isobutyrate FL/FR solvent cyclohexyl acetate FL/FR spicy cubeb oil FL/FR sulfurous buchu mercaptan FL/FR methyl 2-(methyl thio) butyrate FL methyl thiomethyl butyrate FL tropical 3-thiobutyrate FL/FR tropical passiflora acetate FL/FR vegetable 2- octen-4-one FL/FR woody beta- damascenone FL/FR   Potential Uses: FR plum FR prune   Occurrence (nature, food, other):note   not found in nature   Synonyms:   benzene butanoic acid ethyl ester   benzenebutanoic acid, ethyl ester   butyric acid, 4-phenyl- ethyl ester   butyric acid, 4-phenyl-, ethyl ester   ethyl 4-phenyl butanoate   ethyl 4-phenyl-mutanoate   ethyl 4-phenylbutanoate   ethyl 4-phenylbutyrate   ethyl benzene butanoate   ethyl gamma-phenyl butyrate   ethyl-4-phenylbutyrate 4- phenyl butanoic acid ethyl ester   Articles:   None found yet. 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Notes: Flavouring ingredient