methyl 4-phenyl butyrate
methyl 4-phenylbutyrate

Supplier Sponsors

• 
  BOC Sciences

  Best of Chemicals Supplier
  Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds.
  BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services.
  BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
  Email:	Marketing
  US Email:	Marketing
  Email:	Sales
  US Email:	Sales
  Voice: 1-631-485-4226
  Fax: 1-631-614-7828
  US Voice: 1-631-485-4226
  US Fax: 1-631-614-7828
  Europe	44-203-286-1088
  Facebook
  Twitter
  Linkedin
  Blog
  Get the App!
  CODE103296 CODE103296
  Product(s):
  2046-17-5 Benzenebutanoic acid,methyl ester 99 %

• 
  Penta International Corporation

  Chemistry innovation
  At Penta, our products and services help businesses do business better.
  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.
  US Email:	Technical Services
  US Email:	Sales
  US Voice: (973) 740-2300
  US Fax: (973) 740-1839
  CODE103296 CODE103296
  Product(s):
  13-63000 METHYL-4-PHENYL BUTYRATE

Name: methyl 4-phenylbutanoate CAS Number: 2046-17-5 3D/inchi ECHA EINECS - REACH Pre-Reg: 218-067-1 FDA UNII: YMR11U800F Nikkaji Web: J47.060K MDL: MFCD00043756 CoE Number: 308 XlogP3: 2.80 (est) Molecular Weight: 178.23098000 Formula: C11 H14 O2 BioActivity Summary: listing NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavoring 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: 1464 methyl 4-phenylbutyrate DG SANTE Food Flavourings: 09.729 methyl 4-phenylbutyrate FEMA Number: 2739 methyl 4-phenylbutyrate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 2046-17-5 ; METHYL 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 liquid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.99600 to 1.00200 @ 25.00 °C. Pounds per Gallon - (est).: 8.288 to 8.338 Refractive Index: 1.48300 to 1.48900 @ 20.00 °C. Boiling Point: 258.00 to 259.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.013000 mmHg @ 25.00 °C. (est) Flash Point: 233.00 °F. TCC ( 111.67 °C. ) logP (o/w): 2.770 Soluble in:   alcohol   water, 242 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: fruity sweet fruit dried fruit honey floral sweet Odor Description:at 100.00 %. sweet fruit honey floral Flavor Type: fruity fruity Taste Description: fruity Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. Benzenebutanoic acid,methyl ester 99 % Frinton Laboratories For experimental / research use only. Methyl 4-Phenylbutyrate Penta International METHYL-4-PHENYL BUTYRATE Sigma-Aldrich: Aldrich For experimental / research use only. Methyl 4-phenylbutanoate sds   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: flavoring agents Recommendation for methyl 4-phenyl butyrate usage levels up to:   not for fragrance use.   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 Click here to view publication 3   average usual ppm average maximum ppm baked goods: - 1.40000 beverages(nonalcoholic): - 0.56000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 0.52000 fruit ices: - 0.52000 gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: - 1.60000 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 :281254 National Institute of Allergy and Infectious Diseases:Data methyl 4-phenylbutanoate Chemidplus:0002046175   References:   methyl 4-phenylbutanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 2046-17-5 Pubchem (cid): 281254 Pubchem (sid): 135264735   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): HMDB36385 FooDB: FDB015263 Export Tariff Code: 2915.60.0000 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 balsamic balsamic benzyl cinnamate FL/FR cinnamyl formate FL/FR 3- phenyl propyl acetate FL/FR 3- phenyl propyl alcohol FL/FR caramellic immortelle absolute FL/FR maltyl isobutyrate FL/FR propyl pyruvate FL/FR chocolate iso butyl phenyl acetate FL/FR tetrahydrofurfuryl phenyl acetate FL/FR citrus 2- heptanol FL/FR dairy methyl butyl phenyl acetate FL/FR fatty butyl undecylenate FL/FR 4- ethyl octanoic acid FL/FR undecanal propylene glycol acetal FL/FR fermented methyl decanoate FL/FR floral iso amyl angelate FL/FR alpha- amyl cinnamaldehyde FL/FR benzyl acetate FL/FR benzyl acetoacetate FL/FR benzyl formate FL/FR citronellyl acetate FL/FR citronellyl butyrate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR (E)- citronellyl tiglate FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR ethyl hydrocinnamate FL/FR ethyl phenyl acetate FL/FR geraniol FL/FR geranyl phenyl acetate FL/FR hyacinth acetals FL/FR methoxymelonal FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR alpha-iso methyl ionone (90% min.) FL/FR methyl ionyl acetate FL/FR 3- nonanon-1-yl acetate FL/FR orris rhizome concrete butter (iris pallida) FL/FR phenethyl acetate FL/FR phenethyl benzoate FL/FR phenethyl isobutyrate FL/FR phenethyl isovalerate FL/FR phenethyl lactate FL/FR phenethyl phenyl acetate FL/FR phenethyl propionate FL/FR phenyl acetaldehyde 2,3-butylene glycol acetal FL/FR 1- phenyl propyl butyrate FL/FR 3- phenyl propyl formate FL/FR 2- phenyl propyl isobutyrate FL/FR 4- phenyl-3-buten-2-ol FL/FR iso propyl anthranilate FL/FR iso propyl benzoate FL/FR terpinyl valerate FL/FR tuberose absolute (from concrete) FL/FR tuberose absolute (from pommade) FL/FR fruity iso amyl propionate FL/FR iso butyl anthranilate FL/FR iso butyl furyl propionate FL/FR citronellyl isobutyrate FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR beta- damascone FL/FR ethyl levulinate FL/FR heptyl isobutyrate FL/FR 3- mercaptohexyl acetate FL/FR methyl (Z)-3-hexenoate FL/FR methyl isobutyrate FL/FR (E)-7- methyl-3-octen-2-one FL/FR propyl isobutyrate FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR strawberry glycidate 2 FL/FR 4-(para- tolyl)-2-butanone FL/FR tropical ionone FL/FR tropical thiazole FL/FR green iso amyl 3-(2-furan) propionate FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR heptanal dimethyl acetal FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR 1- penten-3-ol FL/FR phenoxyethyl isobutyrate FL/FR phenyl acetaldehyde FL/FR herbal viridiflorol FL/FR honey allyl phenyl acetate FL/FR methyl hydrocinnamate FL/FR methyl phenyl acetate FL/FR phenyl acetic acid FL/FR propyl phenyl acetate FL/FR powdery alpha- methyl ionone FL/FR spicy para- anisyl formate FL/FR (E)-para- methoxycinnamaldehyde FL/FR sulfurous buchu mercaptan FL/FR cassis pentanone FL/FR passiflora acetate FL/FR terpenic (E,E)-2,6-allo ocimene FL/FR tropical tropical 3-thiobutyrate FL/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 amyl angelate FL iso amyl angelate FL/FR 2- butyl thiophene FL 2,4- difurfuryl furan FL S-(2,5- dimethyl-3-furyl) ethane thioate FL (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR ethyl 3-octenoate FL ethyl hydrocinnamate FL/FR geranyl phenyl acetate FL/FR (E)-para- methoxycinnamaldehyde FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR methyl hydrocinnamate FL/FR (E,E)-2,6-allo ocimene FL/FR phenethyl lactate FL/FR phenyl acetaldehyde 2,3-butylene glycol acetal FL/FR 1- phenyl propyl butyrate FL/FR 3- phenyl propyl formate FL/FR 2- phenyl propyl isobutyrate FL/FR iso propyl anthranilate FL/FR iso propyl benzoate FL/FR propyl pyruvate FL/FR tetrahydrofurfuryl phenyl acetate FL/FR undecanal propylene glycol acetal FL/FR viridiflorol FL/FR iso amyl 3-(2-furan) propionate FL/FR benzyl acetoacetate FL/FR iso butyl furyl propionate FL/FR beta- damascone FL/FR alliaceous alliaceous tropical thiazole FL/FR aromatic hyacinth acetals FL/FR balsamic 3- phenyl propyl acetate FL/FR berry heptyl isobutyrate FL/FR burnt ethyl 2-furoate FL cocoa iso butyl phenyl acetate FL/FR dairy methyl butyl phenyl acetate FL/FR ethereal methyl isobutyrate FL/FR fatty 4- ethyl octanoic acid FL/FR methyl decanoate FL/FR (E)-7- methyl-3-octen-2-one FL/FR floral citronellyl acetate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR geraniol FL/FR alpha-iso methyl ionone (90% min.) FL/FR methyl phenyl acetate FL/FR orris rhizome concrete butter (iris pallida) FL/FR phenethyl benzoate FL/FR phenethyl propionate FL/FR phenyl acetic acid FL/FR tropical ionone FL/FR tuberose absolute (from concrete) FL/FR tuberose absolute (from pommade) FL/FR fruity iso amyl propionate FL/FR benzyl acetate FL/FR benzyl formate FL/FR iso butyl anthranilate FL/FR citronellyl butyrate FL/FR citronellyl isobutyrate FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR ethyl levulinate FL/FR 2- heptanol FL/FR 2- hexyl-4-acetoxytetrahydrofuran FL methoxymelonal FL/FR methyl (Z)-3-hexenoate FL/FR alpha- methyl ionone FL/FR 3- nonanon-1-yl acetate FL/FR phenethyl isovalerate FL/FR 2- phenyl-4-pentenal FL propyl isobutyrate FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR strawberry glycidate 2 FL/FR terpinyl valerate FL/FR 4-(para- tolyl)-2-butanone FL/FR green 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 immortelle absolute FL/FR 1- penten-3-ol FL/FR phenoxyethyl isobutyrate FL/FR honey allyl phenyl acetate FL/FR ethyl phenyl acetate FL/FR phenethyl acetate FL/FR phenethyl isobutyrate FL/FR phenethyl phenyl acetate FL/FR phenyl acetaldehyde FL/FR propyl phenyl acetate FL/FR jammy maltyl isobutyrate FL/FR sour 2,4- dimethyl-2-pentenoic acid FL spicy para- anisyl formate FL/FR benzyl cinnamate FL/FR cinnamyl formate FL/FR 3- phenyl propyl alcohol 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 4- phenyl-3-buten-2-ol FL/FR woody methyl ionyl acetate FL/FR   Potential Uses: FR floral FL fruit tropical fruit FL tropical   Occurrence (nature, food, other):note   not found in nature   Synonyms:   benzene butanoic acid methyl ester   benzenebutanoic acid, methyl ester   butyric acid, 4-phenyl-, methyl ester   methyl 4-phenyl butanoate   methyl 4-phenylbutanoate   methyl 4-phenylbutyrate   methyl benzene butanoate   methyl gamma-phenyl butyrate   methyl-4-phenyl butyrate 4- phenyl butyric acid methyl ester 4- phenylbutyric acid methyl ester   Articles:   None found yet. Try the PubMed Search.

Notes: Flavouring ingredient