octyl phenyl acetate
octyl phenylacetate

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  BOC Sciences

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  GSC103339104057 GSC103339104057
  Product(s):
  122-45-2 Octyl Phenylacetate

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  Penta International Corporation

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  For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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  GSC103339104057 GSC103339104057
  Product(s):
  15-38500 OCTYL PHENYLACETATE

Name: octyl 2-phenylacetate CAS Number: 122-45-2 3D/inchi ECHA EINECS - REACH Pre-Reg: 204-545-7 FDA UNII: TDN0NV3W9J Nikkaji Web: J184.050I CoE Number: 230 XlogP3: 5.30 (est) Molecular Weight: 248.36568000 Formula: C16 H24 O2 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: 1017 octyl phenylacetate DG SANTE Food Flavourings: 09.703 octyl phenylacetate FEMA Number: 2812 octyl phenylacetate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 122-45-2 ; OCTYL PHENYLACETATE 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 viscous liquid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 315.00 to 318.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.000161 mmHg @ 25.00 °C. (est) Flash Point: 230.00 °F. TCC ( 110.00 °C. ) logP (o/w): 5.477 (est) Soluble in:   alcohol   water, 0.4678 mg/L @ 25 °C (est) Similar Items:note allyl phenyl acetate amyl phenyl acetate isoamyl phenyl acetate para-anisyl phenyl acetate benzyl phenyl acetate isobornyl phenyl acetate butyl phenyl acetate isobutyl phenyl acetate cinnamyl phenyl acetate citronellyl phenyl acetate meta-cresyl phenyl acetate para-cresyl phenyl acetate cyclohexyl phenyl acetate dimethyl octanyl phenyl acetate ethyl phenyl acetate eugenyl phenyl acetate isoeugenyl phenyl acetate furfuryl phenyl acetate geranyl phenyl acetate guaiacyl phenyl acetate heptyl phenyl acetate (E)-2-hexen-1-yl phenyl acetate (Z)-3-hexen-1-yl phenyl acetate hexyl phenyl acetate linalyl phenyl acetate menthyl phenyl acetate laevo-menthyl phenyl acetate methyl butyl phenyl acetate methyl phenyl acetate neryl phenyl acetate nonyl phenyl acetate phenethyl phenyl acetate phenyl propyl phenyl acetate propyl 4-tert-butyl phenyl acetate propyl phenyl acetate isopropyl phenyl acetate rhodinyl phenyl acetate santalyl phenyl acetate tetrahydrofurfuryl phenyl acetate   Organoleptic Properties: Odor Type: earthy rooty orange basil bois de rose earthy honey Odor Description:at 100.00 %. rooty orange basil bois de rose earthy honey Luebke, William tgsc, (1986) Odor sample from: Nickstadt Moeller, Inc. Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. Octyl Phenylacetate Penta International OCTYL PHENYLACETATE   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 octyl phenyl acetate usage levels up to:   1.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0037 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 0.006 (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 Click here to view publication 3   average usual ppm average maximum ppm baked goods: - 4.00000 beverages(nonalcoholic): - 1.30000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 1.00000 fruit ices: - 1.00000 gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: 0.20000 4.00000 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 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (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 Flavouring Group Evaluation 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - 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 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008) View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):122-45-2 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :61050 National Institute of Allergy and Infectious Diseases:Data octyl 2-phenylacetate Chemidplus:0000122452   References:   octyl 2-phenylacetate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 122-45-2 Pubchem (cid): 61050 Pubchem (sid): 135018861   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): HMDB37713 FooDB: FDB016841 Export Tariff Code: 2916.35.1500 ChemSpider: View   Potential Blenders and core components note For Odor acidic cyclohexyl acetic acid FL/FR aldehydic citronellyl oxyacetaldehyde FL/FR animal para- cresyl phenyl acetate FL/FR 1,2,3,4- tetrahydroquinoline FR anisic para- anisyl phenyl acetate FL/FR balsamic guaiacyl phenyl acetate FL/FR 2- phenyl propyl alcohol FL/FR caramellic immortelle absolute FL/FR cereal bran absolute FR chocolate iso amyl phenyl acetate FL/FR cocoa pentenal FL/FR dairy methyl butyl phenyl acetate FL/FR earthy 2- ethyl fenchol FL/FR fatty methyl (E)-2-hexenoate FL/FR floral bois de rose oil brazil FL/FR cardamom absolute FL/FR citronellyl isovalerate FL/FR citronellyl phenyl acetate FL/FR citronellyl valerate FL/FR coranol (Firmenich) FR decyl formate FR dihydrolinalool FL/FR 3,6- dimethyl-3-octanol FL/FR ethyl hydrocinnamate FL/FR ethyl linalool FR ethyl linalyl acetal FR ethyl linalyl acetate FR ethyl linalyl ether FL/FR ethyl phenyl acetate FL/FR geranyl anthranilate FR geranyl phenyl acetate FL/FR ho leaf oil FR ho wood oil FR hyacinth acetals FL/FR kewda oil CS laevo- linalool FL/FR linalool FL/FR dextro- linalool FL/FR linalool oxide FL/FR linalyl anthranilate FL/FR linalyl phenyl acetate FL/FR octyl isovalerate FL/FR bitter orangeflower absolute morocco FL/FR phenethyl acetate FL/FR phenethyl anthranilate FL/FR phenethyl benzoate FL/FR phenethyl hexanoate FL/FR phenethyl phenyl acetate FL/FR phenethyl propionate FL/FR phenyl glycol diacetate FR 3- phenyl propyl formate FL/FR (E)-2- phenyl-1(2)-propene-1-yl acetate FR iso propyl anthranilate FL/FR iso propyl phenyl acetate FL/FR rhodinyl phenyl acetate FL/FR rose absolute (rosa centifolia) morocco FL/FR rose carboxylate FR tetrahydrolinalool FL/FR tuberose absolute (from concrete) FL/FR tuberose absolute (from pommade) FL/FR wallflower absolute FR fruity allyl phenoxyacetate FL/FR (Z)-beta- damascone FL/FR beta- damascone FL/FR (E)-beta- damascone FL/FR (Z)-3- octen-1-yl propionate FL/FR osmanthus flower absolute FL/FR rhubarb pyran FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR strawberry glycidate 2 FL/FR tropical thiazole FL/FR green galbanum oil FL/FR (E)-2- hexen-1-yl phenyl acetate FL/FR 4- methyl-4-phenyl pentanone FR (Z,Z)-3,6- nonadien-1-ol FL/FR phenyl acetaldehyde FL/FR valerian rhizome oil CO2 extract china FL/FR hay beeswax absolute FL/FR herbal 1- allyl-2,2,7,7-tetramethyl cycloheptanol FR artemisyl ketone FL/FR barosma betulina leaf oil FL/FR american elder flower absolute FR matricaria chamomilla flower oil FL/FR valerian rhizome oil FL/FR valerian rhizome oil china FL/FR honey allyl phenyl acetate FL/FR butyl phenyl acetate FL/FR methyl hydrocinnamate FL/FR methyl phenyl acetate FL/FR phenethyl furoate FL/FR phenyl acetic acid FL/FR phenyl pyruvic acid FL/FR propyl phenyl acetate FL/FR medicinal 2,6- xylenol FL/FR melon (Z)-6- nonen-1-ol FL/FR musty cocoa butenal FL/FR nutty vinyl sulfurol FL/FR phenolic 4- methyl-2,6-dimethoxyphenol FL/FR spicy carnation absolute FR cubeb oil FL/FR eugenyl phenyl acetate FL/FR iso eugenyl phenyl acetate FL/FR sulfurous cassis pentanone FL/FR thujonic cistus cyclohexanone FL/FR tonka melilot absolute FR waxy dihydrocitronellyl acetate FL/FR 1- dodecanol FL/FR waxy acetate FR woody santalyl phenyl acetate FL/FR vetiver oil haiti FL/FR vetiver resinoid FR vetiverol FL/FR vetiveryl acetate FL/FR For Flavor No flavor group found for these 1- acetyl cyclohexyl acetate FL artemisyl ketone FL/FR cistus cyclohexanone FL/FR citronellyl isovalerate FL/FR citronellyl valerate FL/FR dihydrocitronellyl acetate FL/FR elecampane root absolute FL elecampane root oil FL ethyl hydrocinnamate FL/FR ethyl linalyl ether FL/FR eugenyl phenyl acetate FL/FR fig leaf absolute FL (E)-2- hexen-1-yl phenyl acetate FL/FR dextro- linalool FL/FR linalyl phenyl acetate FL/FR melilot oleoresin FL methyl (E)-2-hexenoate FL/FR methyl hydrocinnamate FL/FR octyl isovalerate FL/FR phenethyl furoate FL/FR 3- phenyl propyl formate FL/FR iso propyl anthranilate FL/FR santalyl phenyl acetate FL/FR vetiveryl acetate FL/FR beta- damascone FL/FR alliaceous alliaceous tropical thiazole FL/FR anisic para- anisyl phenyl acetate FL/FR aromatic hyacinth acetals FL/FR brown beeswax absolute FL/FR burnt 2,6- xylenol FL/FR citrus citronellyl oxyacetaldehyde FL/FR linalool FL/FR laevo- linalool FL/FR dairy methyl butyl phenyl acetate FL/FR earthy 2- ethyl fenchol FL/FR floral iso amyl phenyl acetate FL/FR bois de rose oil brazil FL/FR cardamom absolute FL/FR citronellyl phenyl acetate FL/FR cocoa pentenal FL/FR dihydrolinalool FL/FR geranyl phenyl acetate FL/FR linalyl anthranilate FL/FR methyl phenyl acetate FL/FR bitter orangeflower absolute morocco FL/FR phenethyl anthranilate FL/FR phenethyl benzoate FL/FR phenethyl propionate FL/FR phenyl acetic acid FL/FR rose absolute (rosa centifolia) morocco FL/FR tetrahydrolinalool FL/FR tuberose absolute (from concrete) FL/FR tuberose absolute (from pommade) FL/FR fruity allyl phenoxyacetate FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR (Z)-3- octen-1-yl propionate FL/FR osmanthus flower absolute FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR strawberry glycidate 2 FL/FR valerian rhizome oil FL/FR valerian rhizome oil china FL/FR valerian rhizome oil CO2 extract china FL/FR green cassis pentanone FL/FR cocoa butenal FL/FR galbanum oil FL/FR (E)-3- hexenoic acid FL immortelle absolute FL/FR linalool oxide FL/FR 2- phenyl propyl alcohol FL/FR herbal barosma betulina leaf oil FL/FR 3,6- dimethyl-3-octanol FL/FR matricaria chamomilla flower oil FL/FR honey allyl phenyl acetate FL/FR butyl phenyl acetate FL/FR ethyl phenyl acetate FL/FR phenethyl acetate FL/FR phenethyl phenyl acetate FL/FR phenyl acetaldehyde FL/FR propyl phenyl acetate FL/FR iso propyl phenyl acetate FL/FR nutty vinyl sulfurol FL/FR phenolic para- cresyl phenyl acetate FL/FR guaiacyl phenyl acetate FL/FR 4- methyl-2,6-dimethoxyphenol FL/FR phenyl pyruvic acid FL/FR soapy 1- dodecanol FL/FR sour 2,4- dimethyl-2-pentenoic acid FL spicy cubeb oil FL/FR iso eugenyl phenyl acetate FL/FR sweet cyclohexyl acetic acid FL/FR vegetable radish isothiocyanate FL waxy (Z,Z)-3,6- nonadien-1-ol FL/FR (Z)-6- nonen-1-ol FL/FR phenethyl hexanoate FL/FR rhodinyl phenyl acetate FL/FR woody vetiver oil haiti FL/FR vetiverol FL/FR   Potential Uses: FR earth FR floral FR herbal   Occurrence (nature, food, other):note   not found in nature   Synonyms:   acetic acid, phenyl-, octyl ester   benzene acetic acid octyl ester   benzeneacetic acid, octyl ester   octyl 2-phenylacetate   octyl a-toluate   octyl alpha-toluate   octyl benzene acetate   octyl benzeneacetate   octyl phenylacetate   phenyl acetic acid octyl ester   Articles:   None found yet. 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Notes: Flavouring ingredient