3-Phenylpropanoic Acid Synthesis Essay

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  •  
    3-phenyl propionic acid
    3-phenylpropionic acid
     
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        H0183 3-Phenylpropionic Acid >98.0%(GC)(T)
         
    3-phenylpropanoic acid (Click)
    IUPAC Name: 3-phenylpropanoic acid
    Std.InChI: InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
    InChI: InChI=1/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
    Std.InChIKey: XMIIGOLPHOKFCH-UHFFFAOYSA-N
    InChIKey: XMIIGOLPHOKFCH-UHFFFAOYAR
    SMILES: C1=CC=C(C=C1)CCC(=O)O
    CAS Number: 501-52-0
    ECHA EINECS - REACH Pre-Reg: 207-924-5
    FDA UNII: 5Q445IN5CU
    Nikkaji Web: J2.601H
    Beilstein Number: 0907515
    MDL: MFCD00002771
    CoE Number: 32
    XlogP3: 1.80 (est)
    Molecular Weight: 150.17710000
    Formula: C9 H10 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:
    Appearance: white crystals (est)
    Assay: 99.00 to 100.00 % 
    Food Chemicals Codex Listed: No
    Specific Gravity: 1.07100 @  25.00 °C.
    Melting Point: 47.00 to  50.00 °C. @ 760.00 mm Hg
    Boiling Point: 280.00 °C. @ 760.00 mm Hg
    Boiling Point: 169.00 to  170.00 °C. @ 28.00 mm Hg
    Vapor Pressure: 0.002000 mm/Hg @ 25.00 °C. (est)
    Flash Point: > 230.00 °F. TCC ( > 110.00 °C. )
    logP (o/w): 1.840
    Soluble in:
     alcohol
     water, 5900 mg/L @ 20 °C (exp)
    Odor Type: floral
    Odor Strength: medium ,
    recommend smelling in a 1.00 % solution or less
     sweet  fatty  rose  musk  cinnamon  
    Odor Description:
    at 1.00 % in dipropylene glycol. 
    sweet fatty rose musk cinnamon
      
    Alfrebro
    DIHYDROCINNAMIC ACID NATURAL
    Beijing Lys Chemicals
    3-Phenylpropionic acid
    BOC Sciences
    For experimental / research use only.
    Hydrocinnamic acid
    CTC Organics
    3-phenyl propionic acid
    EMD Millipore
    For experimental / research use only.
    3-Phenylpropionic Acid
    ExtraSynthese
    For experimental / research use only.
    Hydrocinnamic acid
    Inoue Perfumery
    3-PHENYLPROPIONIC ACID
    Kunshan Sainty
    3-Phenylpropionic Acid, Natural
    Lluch Essence
    3-PHENYL PROPIONIC ACID
    Odor: SWEET, FLORAL, FATTY
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    3-PHENYLPROPIONIC ACID, Kosher
    M&U International
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    DIHYDROCINNAMIC ACID
    Pearlchem Corporation
    Natural 3-Phenylpropionic Acid
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    3-PHENYLPROPIONIC ACID CRYSTALLINE POWDER, Kosher
    Penta International
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    Sigma-Aldrich
    3-Phenylpropionic acid, 99%, FG
    Certified Food Grade Products
    Sunaux International
    3-Phenylpropionic Acid
    Sunaux International
    nat.3-Phenylpropionic Acid
    TCI AMERICA
    For experimental / research use only.
    3-Phenylpropionic Acid >98.0%(GC)(T)
    WEN International
    DIHYDROCINNAMIC ACID Natural
    Xiamen Doingcom Chemical
    For experimental / research use only.
    3-Phenylpropionic Acid
    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.
    Oral/Parenteral Toxicity:
    oral-mouse LD50  > 1600 mg/kg
    Unusual study design. Study not considered valid for the derivation of an LD50 value.
    (Schafer & Bowles, 1985)

    intraperitoneal-mouse LD50  1202 mg/kg
    Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984.

    Dermal Toxicity:
    Not determined
    Inhalation Toxicity:
    Not determined
    Safety in Use Information:
    Category: flavor and fragrance agents
    Recommendation for 3-phenyl propionic acid usage levels up to:
      0.5000 % in the fragrance concentrate.
     
    Maximised Survey-derived Daily Intakes (MSDI-EU): 20.00 (μg/capita/day)
    Maximised Survey-derived Daily Intakes (MSDI-USA): 0.50 (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 ppmaverage maximum ppm
    baked goods: -17.00000
    beverages(nonalcoholic): 0.020001.00000
    beverages(alcoholic): --
    breakfast cereal: --
    cheese: --
    chewing gum: --
    condiments / relishes: --
    confectionery froastings: --
    egg products: --
    fats / oils: --
    fish products: --
    frozen dairy: 0.480001.00000
    fruit ices: 0.480001.00000
    gelatins / puddings: -1.20000
    granulated sugar: --
    gravies: --
    hard candy: 0.800004.00000
    imitation dairy: --
    instant coffee / tea: --
    jams / jellies: --
    meat products: --
    milk products: -2.00000
    nut products: --
    other grains: --
    poultry: --
    processed fruits: --
    processed vegetables: --
    reconstituted vegetables: --
    seasonings / flavors: --
    snack foods: --
    soft candy: --
    soups: --
    sugar substitutes: --
    sweet sauces: --
    Flavor & Extract Manufacturers Association (FEMA) reference(s):
    The FEMA GRAS assessment of cinnamyl derivatives used as flavor ingredients.View pdf
    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
    Chemical Carcinogenesis Research Information System: Search
    Cancer Citations: Search
    Toxicology Citations: Search
    Env. Mutagen Info. Center: Search
    NLM Developmental and Reproductive Toxicity: Search
    EPA Substance Registry Services (TSCA): 501-52-0
    EPA ACToR: Toxicology Data
    EPA Substance Registry Services (SRS): Registry
    Laboratory Chemical Safety Summary : 107
    National Institute of Allergy and Infectious Diseases: Data
    WGK Germany: 3
     3-phenylpropanoic acid
    Chemidplus: 0000501520
    RTECS: DA8600000 for cas# 501-52-0
    Potential Blenders and core components note
    Occurrence (nature, food, other): note
     benzene propanoic acid
     benzene propionic acid
     benzenepropanoic acid
     benzenepropionic acid
     benzyl acetic acid
     dihydrocinnamic acid
     dihydrocinnamic acid natural
     hydrocinnamic acid
    beta-phenyl propionic acid
    3-phenyl-N-propionic acid
    3-phenylpropanoic acid
    3-phenylpropionic acid
    b-phenylpropionic acid
    nat.3-phenylpropionic acid
    3-phenylpropionic acid crystalline powder
     propionic acid, 3-phenyl-

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