4-Butoxybenzaldehyde

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  • Identifiers

    CAS number
    5736-88-9

    Molecular formula
    C11H14O2

    SMILES
    CCCCOC1=CC=C(C=C1)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 85.47%
    Floral 78.59%
    Anisic 65.28%
    Vanilla 56.26%
    Herbal 56.07%
    Spicy 52.06%
    Balsamic 45.43%
    Powdery 42.13%
    Aromatic 42.03%
    Hawthorn 41.69%

     

    Flavor
    Sweet 69.59%
    Floral 56.14%
    Balsam 53.75%
    Spicy 52.15%
    Vanilla 50.5%
    Chocolate 41.68%
    Bitter 39.62%
    Cinnamon 38.34%
    Powdery 37.28%
    Anise 36.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.73 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    283°C

    Flash point

    • 116.5 ˚C est.

  • Synonyms

    • 4-Butoxybenzaldehyde
    • 5736-88-9
    • p-Butoxybenzaldehyde
    • Benzaldehyde, 4-butoxy-
    • 4-n-Butoxybenzaldehyde
    • Benzaldehyde, p-butoxy-
    • 4-butoxy-benzaldehyde
    • 8OP1TZF294
    • p-(n-Butoxy)benzaldehyde
    • EINECS 227-247-9
    • MFCD00003389
    • NSC 508762
    • NSC-508762
    • UNII-8OP1TZF294
    • AI3-05712
    • DTXSID5063992
    • p-n-butoxybenzaldehyde
    • 4-n-butyloxybenzaldehyde
    • pButoxybenzaldehyde
    • NSC508762
    • Benzaldehyde, pbutoxy
    • Benzaldehyde, 4butoxy
    • 4-Butoxybenzaldehyde, 98%
    • SCHEMBL510500
    • DTXCID9042205
    • ALBB-001160
    • BBL027438
    • STK347137
    • AKOS000202195
    • CS-W017324
    • DS-18354
    • B0126
    • NS00033700
    • EN300-18312
    • H11893
    • Q63395842
    • Z57887685

  • Applications

    4-Butoxybenzaldehyde (CAS 5736-88-9) is primarily used as a synthetic intermediate in fragrance chemistry and the production of aroma compounds, serving as a building block for more complex odorants in perfumery. It may also be used in cosmetics and personal-care formulations as a fragrance ingredient. In industrial manufacturing, it is commonly evaluated as a precursor for specialty chemicals and pharmaceutical intermediates. In polymers and coatings, it can act as a versatile aryl aldehyde building block for derivatization and for the development of functionalized materials or additives. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1548.07
    methanol 1922.35
    isopropanol 713.85
    water 0.22
    ethyl acetate 2207.88
    n-propanol 975.87
    acetone 1856.73
    n-butanol 901.96
    acetonitrile 2338.98
    DMF 884.27
    toluene 513.82
    isobutanol 532.65
    1,4-dioxane 1866.52
    methyl acetate 1529.32
    THF 1408.32
    2-butanone 1423.68
    n-pentanol 644.21
    sec-butanol 607.06
    n-hexane 75.5
    ethylene glycol 169.03
    NMP 507.24
    cyclohexane 131.66
    DMSO 2088.93
    n-butyl acetate 1292.05
    n-octanol 167.64
    chloroform 3665.4
    n-propyl acetate 1175.6
    acetic acid 1427.75
    dichloromethane 4358.69
    cyclohexanone 1385.24
    propylene glycol 251.24
    isopropyl acetate 837.41
    DMAc 673.62
    2-ethoxyethanol 896.95
    isopentanol 649.15
    n-heptane 37.54
    ethyl formate 903.73
    1,2-dichloroethane 3031.1
    n-hexanol 551.77
    2-methoxyethanol 1332.14
    isobutyl acetate 536.96
    tetrachloromethane 285.45
    n-pentyl acetate 384.07
    transcutol 3729.52
    n-heptanol 152.81
    ethylbenzene 256.38
    MIBK 502.47
    2-propoxyethanol 870.94
    tert-butanol 807.59
    MTBE 815.72
    2-butoxyethanol 339.88
    propionic acid 839.46
    o-xylene 219.73
    formic acid 355.96
    diethyl ether 1692.83
    m-xylene 241.91
    p-xylene 300.1
    chlorobenzene 894.66
    dimethyl carbonate 324.49
    n-octane 16.39
    formamide 712.58
    cyclopentanone 1184.64
    2-pentanone 1089.15
    anisole 647.06
    cyclopentyl methyl ether 676.81
    gamma-butyrolactone 1389.51
    1-methoxy-2-propanol 844.24
    pyridine 1793.32
    3-pentanone 739.23
    furfural 1260.04
    n-dodecane 15.85
    diethylene glycol 592.84
    diisopropyl ether 248.15
    tert-amyl alcohol 600.19
    acetylacetone 1114.25
    n-hexadecane 18.86
    acetophenone 551.41
    methyl propionate 995.4
    isopentyl acetate 861.35
    trichloroethylene 4554.54
    n-nonanol 153.06
    cyclohexanol 570.28
    benzyl alcohol 477.89
    2-ethylhexanol 296.07
    isooctanol 132.83
    dipropyl ether 463.71
    1,2-dichlorobenzene 682.77
    ethyl lactate 279.62
    propylene carbonate 843.57
    n-methylformamide 746.13
    2-pentanol 511.25
    n-pentane 52.85
    1-propoxy-2-propanol 589.72
    1-methoxy-2-propyl acetate 738.46
    2-(2-methoxypropoxy) propanol 421.24
    mesitylene 145.07
    ε-caprolactone 1170.4
    p-cymene 128.41
    epichlorohydrin 2074.82
    1,1,1-trichloroethane 1775.93
    2-aminoethanol 418.42
    morpholine-4-carbaldehyde 883.5
    sulfolane 1152.93
    2,2,4-trimethylpentane 33.28
    2-methyltetrahydrofuran 1090.55
    n-hexyl acetate 498.42
    isooctane 28.21
    2-(2-butoxyethoxy)ethanol 621.84
    sec-butyl acetate 583.14
    tert-butyl acetate 635.36
    decalin 63.81
    glycerin 309.79
    diglyme 1311.86
    acrylic acid 659.73
    isopropyl myristate 179.23
    n-butyric acid 1279.76
    acetyl acetate 953.7
    di(2-ethylhexyl) phthalate 151.27
    ethyl propionate 796.35
    nitromethane 2530.85
    1,2-diethoxyethane 1169.54
    benzonitrile 781.45
    trioctyl phosphate 101.45
    1-bromopropane 1359.6
    gamma-valerolactone 1338.04
    n-decanol 113.22
    triethyl phosphate 224.04
    4-methyl-2-pentanol 223.53
    propionitrile 1223.0
    vinylene carbonate 823.29
    1,1,2-trichlorotrifluoroethane 1111.84
    DMS 510.73
    cumene 148.61
    2-octanol 104.43
    2-hexanone 936.3
    octyl acetate 213.9
    limonene 192.87
    1,2-dimethoxyethane 1503.33
    ethyl orthosilicate 213.45
    tributyl phosphate 173.72
    diacetone alcohol 563.03
    N,N-dimethylaniline 287.1
    acrylonitrile 1476.01
    aniline 640.82
    1,3-propanediol 648.54
    bromobenzene 1003.46
    dibromomethane 2735.37
    1,1,2,2-tetrachloroethane 3059.52
    2-methyl-cyclohexyl acetate 364.59
    tetrabutyl urea 200.28
    diisobutyl methanol 157.75
    2-phenylethanol 436.05
    styrene 438.93
    dioctyl adipate 273.02
    dimethyl sulfate 402.98
    ethyl butyrate 697.49
    methyl lactate 304.88
    butyl lactate 277.61
    diethyl carbonate 477.26
    propanediol butyl ether 324.23
    triethyl orthoformate 365.23
    p-tert-butyltoluene 114.8
    methyl 4-tert-butylbenzoate 280.67
    morpholine 2058.38
    tert-butylamine 478.5
    n-dodecanol 86.68
    dimethoxymethane 882.35
    ethylene carbonate 722.16
    cyrene 301.89
    2-ethoxyethyl acetate 591.07
    2-ethylhexyl acetate 610.68
    1,2,4-trichlorobenzene 772.48
    4-methylpyridine 1429.9
    dibutyl ether 399.93
    2,6-dimethyl-4-heptanol 157.75
    DEF 1020.35
    dimethyl isosorbide 598.25
    tetrachloroethylene 1778.29
    eugenol 312.0
    triacetin 466.43
    span 80 304.61
    1,4-butanediol 236.01
    1,1-dichloroethane 2427.77
    2-methyl-1-pentanol 517.97
    methyl formate 559.7
    2-methyl-1-butanol 569.84
    n-decane 26.61
    butyronitrile 1211.57
    3,7-dimethyl-1-octanol 218.11
    1-chlorooctane 149.96
    1-chlorotetradecane 57.21
    n-nonane 25.16
    undecane 19.91
    tert-butylcyclohexane 56.75
    cyclooctane 34.36
    cyclopentanol 394.17
    tetrahydropyran 1818.16
    tert-amyl methyl ether 454.46
    2,5,8-trioxanonane 772.93
    1-hexene 473.46
    2-isopropoxyethanol 540.21
    2,2,2-trifluoroethanol 303.1
    methyl butyrate 1196.79

    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