3-phenyl propyl cinnamate
3-phenylpropyl cinnamate

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  500956 Phenyl Propyl Cinnamate

CAS Number: 122-68-9 3D/inchi ECHA EINECS - REACH Pre-Reg: 204-565-6 FDA UNII: F0Q8B0FS94 MDL: MFCD00048269 CoE Number: 338 XlogP3: 4.90 (est) Molecular Weight: 266.33986000 Formula: C18 H18 O2 NMR Predictor: Predict (works with chrome or firefox) CAS Number: 290311-72-7 3D/inchi XlogP3: 4.90 (est) Molecular Weight: 266.33986000 Formula: C18 H18 O2 NMR Predictor: Predict (works with chrome or firefox) CAS Number: 122-68-9 (Z) 3D/inchi XlogP3: 4.90 (est) Molecular Weight: 266.33986000 Formula: C18 H18 O2 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: 672 3-phenylpropyl cinnamate FLAVIS Number: 09.745 (Old) DG SANTE Food Flavourings: 09.745 3-phenylpropyl cinnamate FEMA Number: 2894 3-phenylpropyl cinnamate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 122-68-9 ; 3-PHENYLPROPYL CINNAMATE 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 to pale yellow clear liquid (est) Assay: 98.00 to 100.00 Equivalence Factor for Assay: 133.17 Food Chemicals Codex Listed: No Specific Gravity: 1.07400 to 1.07600 @ 25.00 °C. Pounds per Gallon - (est).: 8.937 to 8.953 Specific Gravity: 1.07400 to 1.08000 @ 25.00 °C. Pounds per Gallon - est.: 8.937 to 8.987 Refractive Index: 1.58500 to 1.58700 @ 20.00 °C. Refractive Index: 1.58300 to 1.58800 @ 20.00 °C. Boiling Point: 300.00 to 301.00 °C. @ 0.00 mm Hg Boiling Point: 190.00 °C. @ 0.20 mm Hg Acid Value: 1.00 max. KOH/g Flash Point: 501.00 °F. TCC ( 260.56 °C. ) logP (o/w): 5.023 (est) Soluble in:   alcohol   benzyl benzoate   water, 0.9383 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl cinnamate amyl cinnamate isoamyl cinnamate benzyl cinnamate butyl cinnamate isobutyl cinnamate cinnamyl cinnamate citronellyl cinnamate cyclohexyl cinnamate ethyl alpha-acetyl cinnamate ethyl cinnamate heptyl cinnamate (Z)-3-hexen-1-yl cinnamate hexyl cinnamate linalyl cinnamate methyl cinnamate octyl cinnamate phenethyl cinnamate propyl cinnamate isopropyl cinnamate terpinyl cinnamate tetrahydrofurfuryl cinnamate   Organoleptic Properties: Odor Type: balsamic Odor Strength:medium Substantivity:400 hour(s) at 100.00 % sweet balsamic spicy apricot Odor Description:at 100.00 %. sweet balsam spicy apricot Luebke, William tgsc, (1988) Odor sample from: Fritzsche Dodge & Olcott, Inc. Flavor Type: spicy sweet spicy cinnamyl balsamic fruity Taste Description: sweet spicy cinnamyl balsamic fruity Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: BOC Sciences For experimental / research use only. 3-Phenylpropyl Cinnamate Diffusions Aromatiques 3-PHENYLPROPYL CINNAMATE Ernesto Ventós 3-PHENYLPROPYL CINNAMATE Odor: HEAVY FLORAL, ROSE, BALSAMIC Inoue Perfumery 3-PHENYLPROPYL CINNAMATE Lluch Essence PHENYL PROPYL CINNAMATE Parchem 3-phenyl propyl cinnamate Penta International 3-PHENYLPROPYL CINNAMATE Sigma-Aldrich: Aldrich For experimental / research use only. 3-Phenylpropyl Cinnamate sds U. K. Aromatics and Chemicals PHENYL PROPYL CINNAMATE sds Odor: sweet balsam spicy apricot Flavor: Apricot, peru balsam, mimosa Vigon International Phenyl Propyl Cinnamate Odor: SWEET AND HEAVY FLORAL ODOR WITH A BALSAMIC CHARACTER   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. Human Experience: 4 % solution: no irritation or sensitization. Oral/Parenteral Toxicity: oral-rat LD50 > 5000 mg/kg One group of 10 animals received 5000 mg/kg, mortality 0/10, only summary available. (Keating, 1972d) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 969, 1974. Dermal Toxicity: skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 969, 1974. Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavor and fragrance agents Recommendation for 3-phenyl propyl cinnamate usage levels up to:   4.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.49 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 37.00 (μg/capita/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   average usual ppm average maximum ppm baked goods: - 5.30000 beverages(nonalcoholic): - 3.40000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 4.10000 fruit ices: - 4.10000 gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: - 4.30000 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 15 (FGE.15): Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf Flavouring Group Evaluation 15, Revision 1 (FGE.15Rev1) - Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 - 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 68 (FGE.68): Consideration of cinnamyl alcohol and related flavouring agents evaluated by JECFA (55th meeting) evaluated by EFSA in FGE.15Rev1 (2008) View page or View pdf EPI System: View EPA Substance Registry Services (TSCA):122-68-9 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :61051 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 3-phenylpropyl 3-phenylprop-2-enoate Chemidplus:0000122689 3-phenylpropyl (E)-3-phenylprop-2-enoate 3-phenylpropyl (Z)-3-phenylprop-2-enoate   References:   3-phenylpropyl 3-phenylprop-2-enoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 122-68-9 Pubchem (cid): 61051 Pubchem (sid): 135018862   3-phenylpropyl (E)-3-phenylprop-2-enoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 290311-72-7 Pubchem (cid): 5320530 Pubchem (sid): 39294063   3-phenylpropyl (Z)-3-phenylprop-2-enoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 122-68-9 Pubchem (cid): 6435823 Pubchem (sid): 74716878   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 Substances Added to Food (formerly EAFUS): View CHEMBL: View HMDB (The Human Metabolome Database): HMDB36387 FooDB: FDB015265 Export Tariff Code: 2916.12.6000 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor amber labdanum oil FL/FR balsamic artemisia annua herb oil bulgaria FL/FR sumatra benzoin absolute FL/FR sumatra benzoin resinoid FL/FR benzyl benzoate FL/FR benzyl cinnamate FL/FR alpha- bisabolene FL/FR iso butyl benzoate FL/FR iso butyl cinnamate FL/FR cinnamyl alcohol FL/FR cinnamyl benzoate FL/FR cinnamyl butyrate FL/FR cinnamyl cinnamate FL/FR copaiba balsam oil FL/FR ethyl cinnamate FL/FR frankincense absolute FL/FR (Z)-3- hexen-1-yl cinnamate FR linalyl cinnamate FL/FR methyl cinnamate FL/FR alpha- methyl cinnamyl alcohol FR myrrh oil CO2 extract FL/FR myrrh resinoid FR octyl cinnamate FR opoponax oil (balsamodendron kafal) FL/FR opoponax oil (commiphora erythraea var. glabrescens engle) FL/FR opoponax resinoid (balsamodendron kafal) FR peru balsam oil FL/FR peru balsam resinoid FL/FR 2- phenoxyethyl formate FR 3- phenyl propyl acetate FL/FR 3- phenyl propyl alcohol FL/FR black poplar bud oleoresin FL/FR tetrahydrofurfuryl cinnamate FL/FR tolu balsam oil FL/FR annus wormwood oil france FL/FR caramellic mesitene lactone FR citrus alpha- terpinyl methyl ether FL/FR earthy pinus sylvestris leaf absolute FL/FR fermented iso butyl decanoate FL/FR floral benzyl acetate FL/FR benzyl alcohol FL/FR butyl nonanoate FL/FR citronellyl acetone FL/FR citronellyl formate FL/FR cyclohexyl salicylate FR dihydrogeranyl linalool FR floral undecenone FR geranyl isobutyrate FL/FR heptyl propionate FL/FR beta- ionol FL/FR jasmin lactone (IFF) FL/FR phenethyl heptanoate FL/FR phenethyl isovalerate FL/FR phenethyl salicylate FL/FR 1- phenyl propyl alcohol FL/FR 1- phenyl propyl butyrate FL/FR 3- phenyl propyl propionate FL/FR 4- phenyl-3-buten-2-ol FL/FR (Z,E)- phytol FL/FR tuberose absolute (from pommade) FL/FR fruity allyl cinnamate FL/FR allyl propionate FL/FR iso amyl butyrate FL/FR amyl isobutyrate FL/FR iso amyl isobutyrate FL/FR iso amyl nonanoate FL/FR amyl propionate FL/FR apricot isobutyrate FR benzyl butyrate FL/FR benzyl heptanoate FL/FR benzyl isovalerate FL/FR benzyl propionate FL/FR 2- butanol FL/FR butyl 2-decenoate FL/FR cyclohexyl crotonate FR decen-1-yl cyclopentanone FL/FR dihydroactinidolide FL/FR alpha,alpha- dimethyl benzyl isobutyrate FL/FR (R)-delta- dodecalactone FL/FR ethyl 3-(2-furyl) propanoate FL/FR fruity cyclopentanone FR heptyl isobutyrate FL/FR linalyl valerate FL/FR peach cyclopentanone FR 2- phenyl propyl butyrate FL/FR propyl butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR para- tolualdehyde FL/FR gamma- undecalactone (aldehyde C-14 (so-called)) FL/FR xanthoxylum fruit oil FR green benzyl hexanoate FL/FR heptyl acetate FL/FR (Z)-3- hexen-1-yl benzoate FL/FR herbal linalyl isovalerate FL/FR honey methyl hydrocinnamate FL/FR propyl phenyl acetate FL/FR minty ethyl salicylate FL/FR spicy amyl isoeugenol FR bay leaf oil terpeneless FL/FR benzyl isoeugenol FL/FR iso butyl angelate FL/FR cinnamyl acetate FL/FR (Z)- cinnamyl acetate FL/FR clove bud oleoresin FL/FR 4- ethyl guaiacol FL/FR eugenol FL/FR iso eugenol FL/FR iso eugenyl acetate FL/FR eugenyl benzoate FL/FR iso eugenyl phenyl acetate FL/FR mace oil CO2 extract FL/FR alpha- methyl cinnamaldehyde FL/FR myrcene FR nutmeg absolute FL/FR nutmeg oil CO2 extract FL/FR (E)- propyl 2-furan acrylate FL/FR spicy acetoacetate FL/FR annus wormwood oil vietnam FL/FR terpenic cypress leaf oil FR tobacco honey absolute FL/FR tonka dihydrocoumarin replacer FR tonka undecanone FR vanilla vanillylidene acetone FL/FR waxy ethyl octanoate FL/FR woody agarwood specialty FR bruyere root absolute FR guaiacwood oil 20% in gurjun balsam oil FR kaempferia galanga rhizome oil FL/FR 2- methoxy-4-vinyl phenol FL/FR sandal cyclopropane FL/FR woody octene FR For Flavor No flavor group found for these allyl cinnamate FL/FR allyl cyclohexyl valerate FL amyl isobutyrate FL/FR amyl propionate FL/FR artemisia annua herb oil bulgaria FL/FR benzyl heptanoate FL/FR benzyl hexanoate FL/FR alpha- bisabolene FL/FR 2- butanol FL/FR iso butyl decanoate FL/FR butyl nonanoate FL/FR (Z)- cinnamyl acetate FL/FR cinnamyl benzoate FL/FR citronellyl acetone FL/FR dihydroactinidolide FL/FR (R)-delta- dodecalactone FL/FR eugenyl benzoate FL/FR jasmin lactone (IFF) FL/FR linalyl valerate FL/FR methyl furfuracrylate FL methyl hydrocinnamate FL/FR phenethyl heptanoate FL/FR 1- phenyl propyl butyrate FL/FR 3- phenyl propyl propionate FL/FR pinus sylvestris leaf absolute FL/FR black poplar bud oleoresin FL/FR tetrahydrofurfuryl cinnamate FL/FR annus wormwood oil france FL/FR alliaceous alliaceous allyl propionate FL/FR amber labdanum oil FL/FR sandal cyclopropane FL/FR balsamic sumatra benzoin resinoid FL/FR benzyl benzoate FL/FR iso butyl cinnamate FL/FR copaiba balsam oil FL/FR ethyl cinnamate FL/FR myrrh oil CO2 extract FL/FR opoponax oil (balsamodendron kafal) FL/FR opoponax oil (commiphora erythraea var. glabrescens engle) FL/FR peru balsam oil FL/FR peru balsam resinoid FL/FR 3- phenyl propyl acetate FL/FR 1- phenyl propyl alcohol FL/FR (Z,E)- phytol FL/FR tolu balsam oil FL/FR vanillylidene acetone FL/FR berry heptyl isobutyrate FL/FR camphoreous kaempferia galanga rhizome oil FL/FR creamy gamma- undecalactone (aldehyde C-14 (so-called)) FL/FR fatty (Z)-3- hexen-1-yl benzoate FL/FR floral geranyl isobutyrate FL/FR beta- ionol FL/FR tuberose absolute (from pommade) FL/FR fruity iso amyl isobutyrate FL/FR benzyl acetate FL/FR benzyl alcohol FL/FR benzyl butyrate FL/FR benzyl isovalerate FL/FR benzyl propionate FL/FR butyl 2-decenoate FL/FR iso butyl benzoate FL/FR citronellyl formate FL/FR decen-1-yl cyclopentanone FL/FR alpha,alpha- dimethyl benzyl isobutyrate FL/FR ethyl 3-(2-furyl) propanoate FL/FR 2- furyl pentyl ketone FL heptyl propionate FL/FR linalyl cinnamate FL/FR linalyl isovalerate FL/FR phenethyl isovalerate FL/FR (E)- propyl 2-furan acrylate FL/FR propyl butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR green iso butyl angelate FL/FR cinnamyl alcohol FL/FR heptyl acetate FL/FR honey honey absolute FL/FR propyl phenyl acetate FL/FR medicinal frankincense absolute FL/FR phenethyl salicylate FL/FR minty ethyl salicylate FL/FR nutty furfural acetone FL smoky 2- methoxy-4-vinyl phenol FL/FR spicy bay leaf oil terpeneless FL/FR sumatra benzoin absolute FL/FR benzyl cinnamate FL/FR benzyl isoeugenol FL/FR benzylidene acetone FL cinnamyl acetate FL/FR cinnamyl cinnamate FL/FR clove bud oleoresin FL/FR iso eugenol FL/FR eugenol FL/FR iso eugenyl acetate FL/FR iso eugenyl phenyl acetate FL/FR galangal root oleoresin FL mace oil CO2 extract FL/FR alpha- methyl cinnamaldehyde FL/FR methyl cinnamate FL/FR nutmeg absolute FL/FR nutmeg oil CO2 extract FL/FR 3- phenyl propyl alcohol FL/FR 2- phenyl propyl butyrate FL/FR spicy acetoacetate FL/FR para- tolualdehyde FL/FR annus wormwood oil vietnam FL/FR waxy iso amyl butyrate FL/FR ethyl octanoate FL/FR 4- phenyl-3-buten-2-ol FL/FR winey iso amyl nonanoate FL/FR cinnamyl butyrate FL/FR woody 4- ethyl guaiacol FL/FR alpha- terpinyl methyl ether FL/FR   Potential Uses: FR acacia FR apricot FR balsam FL/FR benzoin absolute replacer FL chocolate cocoa FR eglantine   fixer FR floral FR geranium FR mimosa FR orris FR patchouli FR peru balsam FR reseda FR rose FR stephanotis FR violet   Occurrence (nature, food, other):note   benzoin sumatra Search PMC Picture   peru balsam Search Trop Picture   styrax Search Picture   Synonyms:   cinnamic acid 3-phenyl propyl ester   hydrocinnamyl 3-phenyl propenoate   hydrocinnamyl 3-phenylpropenoate   hydrocinnamyl cinnamate 3- phenyl propyl 3-phenyl propenoate 3- phenyl propyl 3-phenyl-2-propenoate 3- phenyl propyl beta-phenyl acrylate   phenyl propyl cinnamate 3- phenyl propyl cinnamate beta- phenyl propyl cinnamate 3- phenyl-2-propenoic acid 3-phenyl propyl ester 3- phenylpropyl 3-phenyl-2-propenoate 3- phenylpropyl 3-phenylacrylate 3- phenylpropyl 3-phenylprop-2-enoate 3- phenylpropyl 3-phenylpropenoate 3- phenylpropyl cinnamate 2- propenoic acid, 3-phenyl-, 3-phenylpropyl ester   Articles:   None found yet. 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Notes: Flavouring ingredient