DL-beta-Phenylalanine

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  • Identifiers

    CAS number
    614-19-7

    Molecular formula
    C9H11NO2

    SMILES
    C1=CC=C(C=C1)C(CC(=O)O)N

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Odorless 47.08%
    Savory 25.42%
    Animal 24.78%
    Sweet 24.68%
    Balsamic 24.16%
    Honey 23.94%
    Meaty 22.43%
    Floral 21.62%
    Bitter 21.36%
    Fatty 21.36%

     

    Flavor
    Odorless 54.22%
    Mild 46.16%
    Sour 26.21%
    Faint 25.96%
    Honeysuckle 21.79%
    Urine 21.02%
    Yeast 20.67%
    Nitrile 20.47%
    Orange flower 20.02%
    Sweet 19.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    5.79 (weak acid)

    Molecular weight
    165.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    307°C

    Flash point

    • 170.83 ˚C est.

  • Synonyms

    • 614-19-7
    • 3-AMINO-3-PHENYLPROPANOIC ACID
    • DL-beta-Phenylalanine
    • beta-Phenyl-beta-alanine
    • NSC-1979
    • NSC-32026
    • M8YVW47H6H
    • CHEBI:68528
    • RefChem:1083895
    • 210-371-2
    • 3-Amino-3-phenylpropionic acid
    • dl-3-Amino-3-phenylpropionic acid
    • 3646-50-2
    • H-DL-beta-Phe-OH
    • H-DL-|A-Phe-OH
    • 3-Amino-3-phenyl-propanoic acid
    • DL-|A-Phenylalanine
    • MFCD00008064
    • 3-azanyl-3-phenyl-propanoic acid
    • Benzenepropanoic acid, beta-amino-
    • 3-Amino-3-phenyl-propionic acid
    • dl-beta-Phenyl-beta-alanine
    • (+/-)-3-Amino-3-phenylpropanoic acid
    • (+/-)-beta-phenyl-beta-alanine
    • (R)-3-Phenyl-beta-alanine
    • (R)-3-Amino-3-phenyl-propionic acid
    • 3-aminophenylpropionic acid
    • 3A3PPA
    • beta-Aminohydrocinnamic acid
    • DL-ss-Phenylalanine
    • EINECS 210-371-2
    • DL-?-Phenylalanine
    • 3-Phenyl-beta-alanine
    • DL-?-Homophenylglycine
    • AI3-52561
    • H-DL-?-Phe-OH
    • 3-Phenyl-beta-alanine #
    • CBMicro_033522
    • H-DL-|_-Phe-OH
    • DL-beta-Phenylalanine N-Hydroxysuccinimide Ester
    • SCHEMBL59840
    • DL-beta-Phenylalanine, 98%
    • orb2567238
    • SCHEMBL3932978
    • SCHEMBL22685292
    • 3-amino-3-phenyl propionic acid
    • DTXSID70870691
    • NSC1979
    • dl-.beta.-Phenyl-.beta.-alanine
    • HMS1783H18
    • DL-3-amino-3phenyl propionic acid
    • ALBB-018652
    • BB_NC-02136
    • NSC 1979
    • NSC32026
    • dl-3-amino-3-phenyl propionic acid
    • BBL005127
    • CCG-51943
    • NSC 32026
    • NSC132827
    • SBB001851
    • STK298817
    • Benzenepropanoic acid, .beta.-amino-
    • AKOS000201301
    • AKOS016042474
    • 7L-339S
    • AB00922
    • AB08206
    • AC-5721
    • CS-W002039
    • FA11137
    • NSC-132827
    • SDCCGMLS-0064954.P001
    • (+/-)-3-Amino-3-phenylpropionic acid
    • AMINOHYDROCINNAMIC ACID, .BETA.-
    • DL-beta-amino-beta-phenyl propionic acid
    • N-acetyl-3-amino-3-phenylpropionic acid
    • CS-10007
    • SY002485
    • Benzenepropanoic acid, b-amino-, (+/-)-
    • DB-006326
    • DB-049774
    • ST4069692
    • A2480
    • Benzenepropanoic acid, b-amino-, (A+/-)-
    • NS00042057
    • DL-?-Phenylalanine N-Hydroxysuccinimide Ester
    • EN300-13591
    • 646A502
    • beta-Aminohydrocinnamic acid;DL-beta-Phenylalanine
    • F034469
    • SR-01000537035
    • SR-01000537035-1
    • SR-01000537035-2
    • Q27136996
    • Z94601171
    • 614-19-7

  • Applications

    DL-beta-Phenylalanine (CAS 614-19-7) is primarily used as a building block and intermediate in organic synthesis, notably for beta-phenylalanine derivatives and beta-peptides/peptidomimetics in pharmaceutical and biotech research. It serves as a racemic starting material for asymmetric synthesis and chiral-resolution workflows to access enantiomerically enriched compounds. It may be used as a precursor for pharmaceutical intermediates bearing phenylalanine motifs. In analytical settings, it can serve as a reference standard for method development and calibration for beta-amino acids. In research contexts, it is used as a substrate in enzyme- or chemical-synthesis studies and for developing materials based on beta-amino acid chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.78
    methanol 5.59
    isopropanol 0.21
    water 30.39
    ethyl acetate 0.58
    n-propanol 0.45
    acetone 0.86
    n-butanol 0.34
    acetonitrile 0.22
    DMF 4.77
    toluene 0.53
    isobutanol 0.49
    1,4-dioxane 0.4
    methyl acetate 0.44
    THF 7.17
    2-butanone 0.76
    n-pentanol 0.59
    sec-butanol 0.29
    n-hexane 0.06
    ethylene glycol 13.03
    NMP 126.6
    cyclohexane 0.02
    DMSO 30.42
    n-butyl acetate 3.49
    n-octanol 0.69
    chloroform 0.13
    n-propyl acetate 1.21
    acetic acid 14.84
    dichloromethane 0.13
    cyclohexanone 5.24
    propylene glycol 6.39
    isopropyl acetate 1.06
    DMAc 27.06
    2-ethoxyethanol 7.37
    isopentanol 0.93
    n-heptane 0.15
    ethyl formate 1.19
    1,2-dichloroethane 0.24
    n-hexanol 3.13
    2-methoxyethanol 10.59
    isobutyl acetate 1.13
    tetrachloromethane 0.3
    n-pentyl acetate 1.28
    transcutol 32.02
    n-heptanol 2.2
    ethylbenzene 0.56
    MIBK 2.61
    2-propoxyethanol 20.28
    tert-butanol 1.46
    MTBE 0.35
    2-butoxyethanol 9.64
    propionic acid 6.52
    o-xylene 1.27
    formic acid 68.55
    diethyl ether 0.1
    m-xylene 1.64
    p-xylene 0.69
    chlorobenzene 0.4
    dimethyl carbonate 3.11
    n-octane 0.03
    formamide 41.53
    cyclopentanone 16.19
    2-pentanone 1.09
    anisole 1.94
    cyclopentyl methyl ether 3.75
    gamma-butyrolactone 33.86
    1-methoxy-2-propanol 6.79
    pyridine 0.89
    3-pentanone 0.91
    furfural 31.61
    n-dodecane 0.03
    diethylene glycol 42.83
    diisopropyl ether 0.26
    tert-amyl alcohol 1.94
    acetylacetone 6.12
    n-hexadecane 0.03
    acetophenone 5.51
    methyl propionate 1.51
    isopentyl acetate 4.49
    trichloroethylene 0.81
    n-nonanol 0.75
    cyclohexanol 0.99
    benzyl alcohol 3.11
    2-ethylhexanol 3.11
    isooctanol 2.27
    dipropyl ether 1.29
    1,2-dichlorobenzene 1.05
    ethyl lactate 7.27
    propylene carbonate 17.95
    n-methylformamide 5.44
    2-pentanol 0.29
    n-pentane 0.02
    1-propoxy-2-propanol 12.14
    1-methoxy-2-propyl acetate 12.38
    2-(2-methoxypropoxy) propanol 17.43
    mesitylene 1.27
    ε-caprolactone 8.23
    p-cymene 1.6
    epichlorohydrin 6.5
    1,1,1-trichloroethane 0.37
    2-aminoethanol 10.47
    morpholine-4-carbaldehyde 31.24
    sulfolane 129.85
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 2.73
    n-hexyl acetate 1.75
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 15.69
    sec-butyl acetate 1.12
    tert-butyl acetate 4.25
    decalin 0.14
    glycerin 40.09
    diglyme 24.11
    acrylic acid 13.18
    isopropyl myristate 0.93
    n-butyric acid 4.77
    acetyl acetate 1.98
    di(2-ethylhexyl) phthalate 4.23
    ethyl propionate 1.77
    nitromethane 12.01
    1,2-diethoxyethane 1.27
    benzonitrile 1.52
    trioctyl phosphate 2.48
    1-bromopropane 0.06
    gamma-valerolactone 25.77
    n-decanol 0.61
    triethyl phosphate 5.33
    4-methyl-2-pentanol 0.99
    propionitrile 0.29
    vinylene carbonate 9.47
    1,1,2-trichlorotrifluoroethane 27.98
    DMS 4.31
    cumene 0.92
    2-octanol 0.68
    2-hexanone 1.3
    octyl acetate 1.37
    limonene 1.73
    1,2-dimethoxyethane 4.44
    ethyl orthosilicate 4.21
    tributyl phosphate 2.83
    diacetone alcohol 16.91
    N,N-dimethylaniline 3.4
    acrylonitrile 0.78
    aniline 1.29
    1,3-propanediol 5.06
    bromobenzene 0.3
    dibromomethane 0.09
    1,1,2,2-tetrachloroethane 0.77
    2-methyl-cyclohexyl acetate 6.35
    tetrabutyl urea 4.68
    diisobutyl methanol 2.06
    2-phenylethanol 5.7
    styrene 0.34
    dioctyl adipate 2.49
    dimethyl sulfate 22.53
    ethyl butyrate 3.76
    methyl lactate 12.92
    butyl lactate 6.05
    diethyl carbonate 3.23
    propanediol butyl ether 9.26
    triethyl orthoformate 3.76
    p-tert-butyltoluene 1.41
    methyl 4-tert-butylbenzoate 12.86
    morpholine 0.82
    tert-butylamine 0.52
    n-dodecanol 0.46
    dimethoxymethane 3.11
    ethylene carbonate 5.48
    cyrene 35.74
    2-ethoxyethyl acetate 2.92
    2-ethylhexyl acetate 3.28
    1,2,4-trichlorobenzene 1.58
    4-methylpyridine 1.13
    dibutyl ether 0.31
    2,6-dimethyl-4-heptanol 2.06
    DEF 2.41
    dimethyl isosorbide 42.22
    tetrachloroethylene 1.17
    eugenol 14.07
    triacetin 6.45
    span 80 11.56
    1,4-butanediol 3.55
    1,1-dichloroethane 0.09
    2-methyl-1-pentanol 1.56
    methyl formate 4.67
    2-methyl-1-butanol 0.88
    n-decane 0.04
    butyronitrile 0.26
    3,7-dimethyl-1-octanol 1.24
    1-chlorooctane 0.17
    1-chlorotetradecane 0.1
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.19
    cyclooctane 0.03
    cyclopentanol 2.11
    tetrahydropyran 0.25
    tert-amyl methyl ether 0.8
    2,5,8-trioxanonane 24.52
    1-hexene 0.15
    2-isopropoxyethanol 5.33
    2,2,2-trifluoroethanol 16.19
    methyl butyrate 2.23

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction