Butanoic acid, 4-formylphenyl ester

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  • Identifiers

    CAS number
    50262-49-2

    Molecular formula
    C11H12O3

    SMILES
    CCCC(=O)OC1=CC=C(C=C1)C=O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 60.47%
    Sweet 46.76%
    Phenolic 42.08%
    Caramellic 41.65%
    Vanilla 38.97%
    Floral 38.91%
    Spicy 35.23%
    Balsamic 35.16%
    Animal 34.16%
    Aromatic 31.75%

     

    Flavor
    Sweet 76.87%
    Balsam 43.81%
    Floral 39.56%
    Fruity 38.8%
    Powdery 35.59%
    Creamy 34.26%
    Vanilla 30.81%
    Caramel 30.58%
    Balsamic 28.72%
    Cinnamon 28.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.82 (neutral)

    Molecular weight
    192.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    290°C

    Flash point

    • 132.01 ˚C est.

  • Synonyms

    • 50262-49-2
    • Butanoic acid, 4-formylphenyl ester
    • DTXSID5068528
    • RefChem:571565
    • DTXCID6040797
    • p-Butyryloxybenzaldehyde
    • (4-formylphenyl) butanoate
    • 4-formylphenyl butanoate
    • MFCD00021058
    • 4-Formylphenyl butyrate
    • 4-Formylphenyl butyrate #
    • SCHEMBL1665645
    • SCHEMBL4646086
    • SCHEMBL4646093
    • SCHEMBL11199667
    • SBB008233
    • AKOS006242758
    • DB-051745
    • ST50828052
    • 50262-49-2

  • Applications

    Butanoic acid, 4-formylphenyl ester (CAS 50262-49-2) is mainly used as a synthetic intermediate in organic and fine chemical production. It serves as a building block for specialty polymers and resins and can function as a reactive monomer or crosslinking component in coatings and adhesive formulations, leveraging the aldehyde group for downstream condensation or imine chemistry. It may be evaluated as a fragrance chemistry precursor or aroma-building block in perfumery due to the formylphenyl moiety, and can be used in process chemistry to introduce aldehyde functionality for further transformations. Additionally, it may be pursued as a precursor in pharmaceutical or agrochemical synthesis, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 331.91
    methanol 545.29
    isopropanol 179.78
    water 0.26
    ethyl acetate 331.16
    n-propanol 181.7
    acetone 735.05
    n-butanol 194.9
    acetonitrile 416.95
    DMF 1006.0
    toluene 95.56
    isobutanol 124.19
    1,4-dioxane 464.2
    methyl acetate 364.67
    THF 572.7
    2-butanone 403.88
    n-pentanol 160.65
    sec-butanol 147.94
    n-hexane 4.13
    ethylene glycol 52.28
    NMP 535.84
    cyclohexane 6.1
    DMSO 961.19
    n-butyl acetate 291.89
    n-octanol 67.76
    chloroform 642.04
    n-propyl acetate 248.85
    acetic acid 623.62
    dichloromethane 758.67
    cyclohexanone 468.33
    propylene glycol 77.2
    isopropyl acetate 188.52
    DMAc 655.18
    2-ethoxyethanol 285.45
    isopentanol 161.23
    n-heptane 2.92
    ethyl formate 269.53
    1,2-dichloroethane 538.11
    n-hexanol 123.63
    2-methoxyethanol 500.07
    isobutyl acetate 139.34
    tetrachloromethane 22.97
    n-pentyl acetate 120.17
    transcutol 1188.5
    n-heptanol 53.91
    ethylbenzene 69.73
    MIBK 170.82
    2-propoxyethanol 266.06
    tert-butanol 259.54
    MTBE 157.71
    2-butoxyethanol 141.27
    propionic acid 245.28
    o-xylene 64.78
    formic acid 196.76
    diethyl ether 158.48
    m-xylene 61.96
    p-xylene 98.77
    chlorobenzene 234.58
    dimethyl carbonate 150.59
    n-octane 2.51
    formamide 363.8
    cyclopentanone 565.17
    2-pentanone 306.5
    anisole 221.59
    cyclopentyl methyl ether 177.12
    gamma-butyrolactone 701.43
    1-methoxy-2-propanol 314.89
    pyridine 455.12
    3-pentanone 182.62
    furfural 614.56
    n-dodecane 5.0
    diethylene glycol 247.75
    diisopropyl ether 37.12
    tert-amyl alcohol 183.54
    acetylacetone 417.31
    n-hexadecane 5.8
    acetophenone 230.56
    methyl propionate 252.73
    isopentyl acetate 218.99
    trichloroethylene 1022.38
    n-nonanol 62.06
    cyclohexanol 140.0
    benzyl alcohol 192.85
    2-ethylhexanol 75.36
    isooctanol 48.65
    dipropyl ether 75.68
    1,2-dichlorobenzene 209.17
    ethyl lactate 120.82
    propylene carbonate 374.22
    n-methylformamide 430.75
    2-pentanol 104.31
    n-pentane 2.49
    1-propoxy-2-propanol 179.22
    1-methoxy-2-propyl acetate 234.43
    2-(2-methoxypropoxy) propanol 193.51
    mesitylene 39.72
    ε-caprolactone 375.33
    p-cymene 39.93
    epichlorohydrin 719.53
    1,1,1-trichloroethane 263.96
    2-aminoethanol 120.92
    morpholine-4-carbaldehyde 534.51
    sulfolane 688.32
    2,2,4-trimethylpentane 5.05
    2-methyltetrahydrofuran 312.11
    n-hexyl acetate 184.57
    isooctane 4.05
    2-(2-butoxyethoxy)ethanol 279.39
    sec-butyl acetate 144.85
    tert-butyl acetate 193.53
    decalin 10.22
    glycerin 136.24
    diglyme 516.85
    acrylic acid 269.23
    isopropyl myristate 70.83
    n-butyric acid 351.17
    acetyl acetate 255.74
    di(2-ethylhexyl) phthalate 74.04
    ethyl propionate 195.49
    nitromethane 1091.53
    1,2-diethoxyethane 265.59
    benzonitrile 265.07
    trioctyl phosphate 50.5
    1-bromopropane 175.85
    gamma-valerolactone 676.52
    n-decanol 49.75
    triethyl phosphate 79.76
    4-methyl-2-pentanol 68.21
    propionitrile 253.48
    vinylene carbonate 388.61
    1,1,2-trichlorotrifluoroethane 389.46
    DMS 204.51
    cumene 49.6
    2-octanol 42.74
    2-hexanone 240.14
    octyl acetate 92.81
    limonene 54.93
    1,2-dimethoxyethane 525.07
    ethyl orthosilicate 69.37
    tributyl phosphate 78.3
    diacetone alcohol 247.03
    N,N-dimethylaniline 125.34
    acrylonitrile 416.46
    aniline 175.88
    1,3-propanediol 215.01
    bromobenzene 223.02
    dibromomethane 404.31
    1,1,2,2-tetrachloroethane 671.89
    2-methyl-cyclohexyl acetate 121.67
    tetrabutyl urea 99.05
    diisobutyl methanol 48.16
    2-phenylethanol 153.14
    styrene 112.35
    dioctyl adipate 115.79
    dimethyl sulfate 223.64
    ethyl butyrate 175.75
    methyl lactate 142.91
    butyl lactate 117.88
    diethyl carbonate 135.33
    propanediol butyl ether 164.17
    triethyl orthoformate 107.2
    p-tert-butyltoluene 37.86
    methyl 4-tert-butylbenzoate 147.25
    morpholine 486.11
    tert-butylamine 104.61
    n-dodecanol 40.07
    dimethoxymethane 394.84
    ethylene carbonate 287.09
    cyrene 169.89
    2-ethoxyethyl acetate 198.03
    2-ethylhexyl acetate 152.66
    1,2,4-trichlorobenzene 245.36
    4-methylpyridine 417.45
    dibutyl ether 103.24
    2,6-dimethyl-4-heptanol 48.16
    DEF 338.54
    dimethyl isosorbide 270.63
    tetrachloroethylene 330.92
    eugenol 168.73
    triacetin 204.1
    span 80 143.52
    1,4-butanediol 86.96
    1,1-dichloroethane 399.84
    2-methyl-1-pentanol 143.54
    methyl formate 360.55
    2-methyl-1-butanol 141.6
    n-decane 6.55
    butyronitrile 253.73
    3,7-dimethyl-1-octanol 78.96
    1-chlorooctane 44.28
    1-chlorotetradecane 21.22
    n-nonane 5.29
    undecane 5.67
    tert-butylcyclohexane 9.81
    cyclooctane 1.76
    cyclopentanol 141.8
    tetrahydropyran 317.92
    tert-amyl methyl ether 115.05
    2,5,8-trioxanonane 352.98
    1-hexene 48.24
    2-isopropoxyethanol 178.41
    2,2,2-trifluoroethanol 151.81
    methyl butyrate 287.66

    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