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  • ChemicalBook--->CAS DataBase List--->90-27-7

    90-27-7

    90-27-7 Structure

    90-27-7 Structure
    IdentificationMore
    [Name]

    2-Phenylbutyric acid
    [CAS]

    90-27-7
    [Synonyms]

    2-ETHYL-2-PHENYLACETIC ACID
    2-PHENYLBUTANOIC ACID
    (+/-)-2-PHENYLBUTYRIC ACID
    2-PHENYLBUTYRIC ACID
    2-PHENYL-N-BUTYRIC ACID
    A-ETHYLPHENYLACETIC ACID
    AKOS BBS-00006483
    ALPHA-ETHYLPHENYLACETIC ACID
    ALPHA-PHENYL-N-BUTYRIC ACID
    A-PHENYLETHYLACETIC ACID
    AURORA KA-7220
    RARECHEM AL BO 0093
    2-phenyl-butyricaci
    alpha-Phenylbutyric acid
    alpha-phenylbutyricacid
    alpha-Toluic acid, alpha-ethyl-
    Butyric acid, 2-phenyl-
    2-Phenylbutyric acidAV23224
    2-PhenylButyricAcid99%
    2-Phenylbutyricacid,98%
    [EINECS(EC#)]

    201-982-5
    [Molecular Formula]

    C10H12O2
    [MDL Number]

    MFCD00002667
    [Molecular Weight]

    164.2
    [MOL File]

    90-27-7.mol
    Chemical PropertiesBack Directory
    [Appearance]

    WHITE TO YELLOWISH ADHERING CRYSTALS
    [Melting point ]

    39-42 °C (lit.)
    [Boiling point ]

    270-272 °C (lit.)
    [density ]

    0,62 g/cm3
    [refractive index ]

    1.5150
    [Fp ]

    >230 °F
    [storage temp. ]

    Sealed in dry,Room Temperature
    [solubility ]

    Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
    [form ]

    Solid
    [pka]

    4.34±0.10(Predicted)
    [color ]

    White adhering crystalline powder
    [Water Solubility ]

    insoluble
    [Detection Methods]

    HPLC,NMR
    [BRN ]

    509876
    [CAS DataBase Reference]

    90-27-7(CAS DataBase Reference)
    [NIST Chemistry Reference]

    Benzeneacetic acid, «alpha»-ethyl-(90-27-7)
    [EPA Substance Registry System]

    90-27-7(EPA Substance)
    Safety DataBack Directory
    [Hazard Codes ]

    Xn
    [Risk Statements ]

    R22:Harmful if swallowed.
    R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
    [Safety Statements ]

    S22:Do not breathe dust .
    S36:Wear suitable protective clothing .
    [WGK Germany ]

    3
    [RTECS ]

    ET5957500
    [TSCA ]

    Yes
    [HS Code ]

    29163900
    [Toxicity]

    LD50 orl-mus: 1154 mg/kg BCFAAI 100,143,61
    Raw materials And Preparation ProductsBack Directory
    [Raw materials]

    1-Propanone, 1-phenyl-, one-->2-PHENYLBUTYRONITRILE-->TRANS-BETA-METHYLSTYRENE-->β-Methylstyrene-->2-PHENYLBUTYRIC ACID ANHYDRIDE-->N-PROPYLBENZENE
    [Preparation Products]

    2-(4-NITROPHENYL)BUTYRIC ACID-->α-(p-Aminophenyl)butyric acid-->2-Benzylpropionic acid-->(R)-(-)-2-PHENYLBUTYRIC ACID-->2-Phenylbutyryl chloride-->(S)-(+)-2-PHENYLBUTYRIC ACID-->Butamirate Impurity 1
    Material Safety Data Sheet(MSDS)Back Directory
    [msds information]

    alpha-Ethylphenylacetic acid(90-27-7).msds
    Hazard InformationBack Directory
    [Chemical Properties]

    WHITE TO YELLOWISH ADHERING CRYSTALS
    [Uses]

    2-Phenylbutyric Acid is a metabolite of Butamirate.
    [Uses]

    A metabolite of Butamirate.
    [Uses]

    antihyperlipidemic
    [Definition]

    ChEBI: A monocarboxylic acid that is butyric acid substituted by a phenyl group at position 2.
    [Synthesis Reference(s)]

    Chemical and Pharmaceutical Bulletin, 31, p. 2564, 1983 DOI: 10.1248/cpb.31.2564
    [Safety Profile]

    Poison by intravenous route. Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
    Spectrum DetailBack Directory
    [Spectrum Detail]

    2-Phenylbutyric acid(90-27-7)MS
    2-Phenylbutyric acid(90-27-7)1HNMR
    2-Phenylbutyric acid(90-27-7)13CNMR
    2-Phenylbutyric acid(90-27-7)IR1
    2-Phenylbutyric acid(90-27-7)IR2
    2-Phenylbutyric acid(90-27-7)Raman
    Well-known Reagent Company Product InformationBack Directory
    [Acros Organics]

    2-Phenylbutyric acid, 98%(90-27-7)
    [Alfa Aesar]

    (+/-)-2-Phenylbutyric acid, 98%(90-27-7)
    [Sigma Aldrich]

    90-27-7(sigmaaldrich)
    [TCI AMERICA]

    2-Phenylbutyric Acid,>98.0%(GC)(T)(90-27-7)
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