phenethyl (E)-crotonate
2-butenoic acid, 2-phenylethyl ester, (2E)-

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  BOC Sciences

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  CODE146043 CODE146043
  Product(s):
  68141-20-8 Phenylethyl-crotonate

• 
  SRS Aromatics Ltd

  For over 25 years
  Bringing flavour and fragrance into your world.
  As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply.
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  CODE146043 CODE146043
  Product(s):
  PHENYL ETHYL CROTONATE

CAS Number: 68141-20-8 3D/inchi ECHA EINECS - REACH Pre-Reg: 268-842-3 FDA UNII: Search Nikkaji Web: J185.964A CoE Number: 10880 XlogP3: 3.10 (est) Molecular Weight: 190.24198000 Formula: C12 H14 O2 BioActivity Summary: listing 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 DG SANTE Food Flavourings: 09.684 2-phenylethyl (E)-2-butenoate   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.01700 to 1.02300 @ 25.00 °C. Pounds per Gallon - (est).: 8.462 to 8.512 Refractive Index: 1.51300 to 1.51700 @ 20.00 °C. Boiling Point: 271.00 to 275.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est) Flash Point: 322.00 °F. TCC ( 161.11 °C. ) logP (o/w): 3.509 (est) Soluble in:   alcohol   water, 68.97 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl crotonate isoamyl crotonate apple crotonate benzyl crotonate butyl (E)-2-crotonate citronellyl crotonate cyclohexyl crotonate dimethyl benzyl carbinyl crotonate ethyl (E)-2-crotonate ethyl crotonate fig crotonate geranyl crotonate heptyl crotonate (Z)-3-hexen-1-yl (E)-crotonate (E)-3-hexen-1-yl crotonate hexyl (E)-crotonate octyl crotonate 3-phenyl propyl crotonate plum crotonate isopropyl (E)-crotonate propyl crotonate isopropyl 3-methyl thiocrotonate   Organoleptic Properties: 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. Phenylethyl-crotonate Grau Aromatics PHENYLETHYL-CROTONATE NI, Kosher SRS Aromatics PHENYL ETHYL CROTONATE   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 phenethyl (E)-crotonate usage levels up to:   3.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.73 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day) Threshold of Concern: 1800 (μg/person/day) Structure Class: I   Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.   average usage mg/kg maximum usage mg/kg Dairy products, excluding products of category 02.0 (01.0): 7.00000 35.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.00000 25.00000 Edible ices, including sherbet and sorbet (03.0): 10.00000 50.00000 Processed fruit (04.1): 7.00000 35.00000 Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 10.00000 50.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.00000 25.00000 Bakery wares (07.0): 10.00000 50.00000 Meat and meat products, including poultry and game (08.0): 2.00000 10.00000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.00000 10.00000 Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.00000 25.00000 Foodstuffs intended for particular nutritional uses (13.0): 10.00000 50.00000 Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.00000 25.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.00000 50.00000 Ready-to-eat savouries (15.0): 20.00000 100.00000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.00000 25.00000   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 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 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):68141-20-8 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :5354304 National Institute of Allergy and Infectious Diseases:Data 2-phenylethyl (E)-but-2-enoate Chemidplus:0068141208   References:   2-phenylethyl (E)-but-2-enoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 68141-20-8 Pubchem (cid): 5354304 Pubchem (sid): 135052516   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 HMDB (The Human Metabolome Database): Search Export Tariff Code: 2916.19.7000 ChemSpider: View   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms: 2- butenoic acid, 2-phenylethyl ester, (2E)- 2- butenoic acid, 2-phenylethyl ester, (E)- 2- butenoic acid, phenethyl ester, (E)- 2- phenethyl (E)-crotonate   phenethyl trans-crotonate 2- phenethyl trans-crotonate 2- phenyl ethyl (E)-2-butenoate   phenyl ethyl (E)-crotonate 2- phenyl ethyl trans-2-butenoate   phenyl ethyl trans-crotonate 2- phenylethyl (E)-2-butenoate 2- phenylethyl (E)-but-2-enoate 2- phenylethyl trans-2-butenoate 2- phenylethyl trans-but-2-enoate   Articles:   None found yet. 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Notes: None found