2,3-Diphenylpropionic acid

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  • Identifiers

    CAS number
    3333-15-1

    Molecular formula
    C15H14O2

    SMILES
    C1=CC=C(C=C1)CC(C2=CC=CC=C2)C(=O)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 84.35%
    Sweet 79.36%
    Honey 76.08%
    Rose 72.12%
    Balsamic 69.5%
    Powdery 42.38%
    Spicy 42.05%
    Hyacinth 41.73%
    Green 39.88%
    Cinnamon 36.29%

     

    Flavor
    Sweet 52.35%
    Honey 45.44%
    Floral 41.54%
    Balsam 41.5%
    Rose 40.56%
    Waxy 38.95%
    Mild 31.24%
    Balsamic 26.3%
    Fruity 26.06%
    Green 24.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.43 (neutral)

    Molecular weight
    226.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    348°C

    Flash point

    • 190.15 ˚C est.

  • Synonyms

    • 2,3-diphenylpropanoic acid
    • 2,3-Diphenylpropionic acid
    • 3333-15-1
    • MFCD00044405
    • 2,3-Diphenyl-Propionic Acid
    • EINECS 222-065-6
    • NSC 49
    • DTXSID801311088
    • NSC 11135
    • 2,3-diphenylpropanoicacid
    • Maybridge3_003394
    • NSC49
    • 2,3-diphenyl-propanoic acid
    • Oprea1_394675
    • SCHEMBL67234
    • NSC-49
    • DTXCID901740913
    • HMS1440K06
    • ALBB-024829
    • NSC11135
    • benzenepropanoic acid, alpha-phenyl-
    • NSC-11135
    • AKOS001584772
    • AKOS016038005
    • AB92818
    • CCG-253843
    • IDI1_014781
    • AS-47862
    • SY021701
    • DB-048385
    • D1790
    • EU-0000158
    • NS00049543
    • F16387
    • AE-641/00381051
    • SR-01000389475
    • SR-01000389475-1
    • 222-065-6

  • Applications

    2,3-Diphenylpropionic acid (CAS 3333-15-1) is primarily used as an intermediate in pharmaceutical synthesis, providing the beta-diarylpropionic acid scaffold for drug candidates and derivatives. It also serves as a versatile building block in organic synthesis to introduce diaryl motifs into molecules in the form of esters, amides, or ketones. In perfumery, it may be used as a fragrance precursor for aromatic compounds or related esters. In industrial manufacturing, it can function as a specialty building block for polymer formulations or as an additive to tailor resin properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 74.26
    methanol 124.73
    isopropanol 27.59
    water 0.26
    ethyl acetate 74.16
    n-propanol 54.6
    acetone 86.92
    n-butanol 33.62
    acetonitrile 46.17
    DMF 592.85
    toluene 17.73
    isobutanol 23.73
    1,4-dioxane 140.2
    methyl acetate 79.06
    THF 175.45
    2-butanone 99.6
    n-pentanol 33.99
    sec-butanol 24.67
    n-hexane 0.63
    ethylene glycol 26.56
    NMP 189.29
    cyclohexane 0.48
    DMSO 329.8
    n-butyl acetate 52.16
    n-octanol 13.66
    chloroform 59.7
    n-propyl acetate 52.96
    acetic acid 53.43
    dichloromethane 46.06
    cyclohexanone 109.84
    propylene glycol 33.81
    isopropyl acetate 48.29
    DMAc 587.21
    2-ethoxyethanol 86.11
    isopentanol 32.64
    n-heptane 0.97
    ethyl formate 34.25
    1,2-dichloroethane 88.18
    n-hexanol 40.59
    2-methoxyethanol 139.07
    isobutyl acetate 36.0
    tetrachloromethane 3.52
    n-pentyl acetate 22.94
    transcutol 280.51
    n-heptanol 21.3
    ethylbenzene 21.18
    MIBK 52.99
    2-propoxyethanol 101.38
    tert-butanol 40.71
    MTBE 32.89
    2-butoxyethanol 55.1
    propionic acid 52.56
    o-xylene 17.88
    formic acid 29.32
    diethyl ether 44.0
    m-xylene 15.82
    p-xylene 19.06
    chlorobenzene 28.16
    dimethyl carbonate 60.16
    n-octane 0.58
    formamide 91.46
    cyclopentanone 176.33
    2-pentanone 73.12
    anisole 68.87
    cyclopentyl methyl ether 47.43
    gamma-butyrolactone 179.69
    1-methoxy-2-propanol 110.29
    pyridine 107.39
    3-pentanone 61.71
    furfural 120.9
    n-dodecane 0.88
    diethylene glycol 83.1
    diisopropyl ether 11.26
    tert-amyl alcohol 33.58
    acetylacetone 101.64
    n-hexadecane 1.0
    acetophenone 66.01
    methyl propionate 85.5
    isopentyl acetate 48.28
    trichloroethylene 149.99
    n-nonanol 15.01
    cyclohexanol 19.1
    benzyl alcohol 49.82
    2-ethylhexanol 24.63
    isooctanol 18.66
    dipropyl ether 33.08
    1,2-dichlorobenzene 32.57
    ethyl lactate 36.14
    propylene carbonate 80.67
    n-methylformamide 143.12
    2-pentanol 19.56
    n-pentane 0.28
    1-propoxy-2-propanol 65.63
    1-methoxy-2-propyl acetate 73.41
    2-(2-methoxypropoxy) propanol 58.96
    mesitylene 10.86
    ε-caprolactone 86.31
    p-cymene 13.1
    epichlorohydrin 199.05
    1,1,1-trichloroethane 29.67
    2-aminoethanol 56.37
    morpholine-4-carbaldehyde 164.92
    sulfolane 213.9
    2,2,4-trimethylpentane 1.08
    2-methyltetrahydrofuran 65.57
    n-hexyl acetate 31.45
    isooctane 1.05
    2-(2-butoxyethoxy)ethanol 85.24
    sec-butyl acetate 40.22
    tert-butyl acetate 54.1
    decalin 2.08
    glycerin 54.29
    diglyme 171.04
    acrylic acid 49.67
    isopropyl myristate 16.45
    n-butyric acid 59.74
    acetyl acetate 39.8
    di(2-ethylhexyl) phthalate 18.95
    ethyl propionate 55.11
    nitromethane 144.86
    1,2-diethoxyethane 67.21
    benzonitrile 42.18
    trioctyl phosphate 12.78
    1-bromopropane 17.39
    gamma-valerolactone 195.0
    n-decanol 12.07
    triethyl phosphate 25.68
    4-methyl-2-pentanol 20.2
    propionitrile 49.18
    vinylene carbonate 69.36
    1,1,2-trichlorotrifluoroethane 120.83
    DMS 46.9
    cumene 14.93
    2-octanol 10.73
    2-hexanone 56.7
    octyl acetate 19.34
    limonene 15.86
    1,2-dimethoxyethane 150.76
    ethyl orthosilicate 24.16
    tributyl phosphate 15.56
    diacetone alcohol 82.78
    N,N-dimethylaniline 45.0
    acrylonitrile 73.79
    aniline 35.37
    1,3-propanediol 58.7
    bromobenzene 22.04
    dibromomethane 23.23
    1,1,2,2-tetrachloroethane 140.87
    2-methyl-cyclohexyl acetate 37.73
    tetrabutyl urea 25.03
    diisobutyl methanol 17.08
    2-phenylethanol 43.03
    styrene 23.24
    dioctyl adipate 27.67
    dimethyl sulfate 105.33
    ethyl butyrate 45.28
    methyl lactate 58.1
    butyl lactate 29.4
    diethyl carbonate 32.33
    propanediol butyl ether 43.05
    triethyl orthoformate 31.9
    p-tert-butyltoluene 12.47
    methyl 4-tert-butylbenzoate 49.51
    morpholine 153.3
    tert-butylamine 18.66
    n-dodecanol 9.44
    dimethoxymethane 190.59
    ethylene carbonate 55.59
    cyrene 61.95
    2-ethoxyethyl acetate 44.82
    2-ethylhexyl acetate 36.8
    1,2,4-trichlorobenzene 44.55
    4-methylpyridine 73.11
    dibutyl ether 19.29
    2,6-dimethyl-4-heptanol 17.08
    DEF 118.86
    dimethyl isosorbide 103.98
    tetrachloroethylene 69.19
    eugenol 52.46
    triacetin 44.84
    span 80 40.84
    1,4-butanediol 24.6
    1,1-dichloroethane 33.67
    2-methyl-1-pentanol 35.38
    methyl formate 82.25
    2-methyl-1-butanol 26.87
    n-decane 1.24
    butyronitrile 37.66
    3,7-dimethyl-1-octanol 17.7
    1-chlorooctane 7.82
    1-chlorotetradecane 3.91
    n-nonane 0.92
    undecane 1.02
    tert-butylcyclohexane 2.39
    cyclooctane 0.28
    cyclopentanol 24.51
    tetrahydropyran 68.01
    tert-amyl methyl ether 32.84
    2,5,8-trioxanonane 116.89
    1-hexene 8.16
    2-isopropoxyethanol 60.45
    2,2,2-trifluoroethanol 23.07
    methyl butyrate 72.01

    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