4-Butylbenzoic acid

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  • Identifiers

    CAS number
    20651-71-2

    Molecular formula
    C11H14O2

    SMILES
    CCCCC1=CC=C(C=C1)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Balsamic 50.92%
    Herbal 46.27%
    Fatty 43.48%
    Floral 42.19%
    Sweet 41.99%
    Animal 40.07%
    Phenolic 40.02%
    Spicy 36.7%
    Green 35.89%
    Waxy 33.17%

     

    Flavor
    Sweet 44.76%
    Balsam 39.81%
    Fatty 37.42%
    Herbal 33.21%
    Waxy 32.06%
    Woody 31.28%
    Oily 30.66%
    Phenolic 30.04%
    Spicy 29.96%
    Mild 27.34%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.61 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point

    • 147.03 ˚C est.

  • Synonyms

    • 4-Butylbenzoic acid
    • Benzoic acid, 4-butyl-
    • p-Butylbenzoic acid
    • p-n-Butylbenzoic acid
    • EINECS 243-940-9
    • DTXSID8066638
    • RefChem:98250
    • DTXCID3036361
    • 243-940-9
    • JFKUBRAOUZEZSL-UHFFFAOYSA-N
    • 20651-71-2
    • 4-n-Butylbenzoic acid
    • 4-Butyl-benzoic acid
    • 4-n-butyl benzoic acid
    • MFCD00002571
    • 25651-71-2
    • p-Butylbenzoic Acid; 4-n-Butylbenzoic Acid; p-n-Butylbenzoic Acid;
    • p-n-butyl benzoic acid
    • 4-Butylbenzoic acid, 99%
    • SCHEMBL181230
    • CHEMBL116157
    • SCHEMBL5328850
    • SCHEMBL5328858
    • SCHEMBL8759412
    • SCHEMBL9693784
    • 7QP4538G5R
    • SBB059140
    • STL197591
    • AKOS000200682
    • CS-W017317
    • NCGC00339428-01
    • AC-18363
    • SY033870
    • TS-00187
    • B0241
    • NS00021838
    • ST50406503
    • EN300-14998
    • AB01109231-03
    • F048897
    • Z57169481
    • 20651-71-2

  • Applications

    4-Butylbenzoic acid (CAS 20651-71-2) is primarily used as an aromatic carboxylic acid building block in organic synthesis, serving as an intermediate to prepare esters, amides, and other benzoic acid derivatives. It is employed as a building block in fragrance-related and cosmetic applications, and is also used in the development of specialty polymers and liquid-crystal materials. In coatings and inks, it can be used as a starting material to introduce para‑butylbenzoyl motifs. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2951.11
    methanol 3463.32
    isopropanol 1403.1
    water 0.11
    ethyl acetate 2114.14
    n-propanol 2373.51
    acetone 1632.36
    n-butanol 1446.04
    acetonitrile 733.81
    DMF 4956.29
    toluene 265.3
    isobutanol 1304.89
    1,4-dioxane 723.73
    methyl acetate 1245.02
    THF 1403.62
    2-butanone 2064.76
    n-pentanol 1062.1
    sec-butanol 1437.52
    n-hexane 42.44
    ethylene glycol 275.71
    NMP 2476.34
    cyclohexane 13.54
    DMSO 4159.63
    n-butyl acetate 1009.69
    n-octanol 149.34
    chloroform 540.29
    n-propyl acetate 884.54
    acetic acid 573.68
    dichloromethane 719.21
    cyclohexanone 1440.55
    propylene glycol 522.74
    isopropyl acetate 971.08
    DMAc 2674.37
    2-ethoxyethanol 1371.46
    isopentanol 1157.24
    n-heptane 9.07
    ethyl formate 438.37
    1,2-dichloroethane 1010.15
    n-hexanol 928.86
    2-methoxyethanol 2814.97
    isobutyl acetate 462.55
    tetrachloromethane 59.79
    n-pentyl acetate 327.25
    transcutol 3303.05
    n-heptanol 232.96
    ethylbenzene 159.71
    MIBK 878.9
    2-propoxyethanol 1549.15
    tert-butanol 1559.58
    MTBE 1518.5
    2-butoxyethanol 516.96
    propionic acid 947.64
    o-xylene 188.84
    formic acid 262.82
    diethyl ether 1244.38
    m-xylene 261.64
    p-xylene 157.47
    chlorobenzene 307.13
    dimethyl carbonate 432.1
    n-octane 4.81
    formamide 969.39
    cyclopentanone 1917.4
    2-pentanone 2155.92
    anisole 490.24
    cyclopentyl methyl ether 1359.77
    gamma-butyrolactone 1890.07
    1-methoxy-2-propanol 2341.13
    pyridine 807.74
    3-pentanone 1295.61
    furfural 812.79
    n-dodecane 4.26
    diethylene glycol 838.67
    diisopropyl ether 315.5
    tert-amyl alcohol 1543.97
    acetylacetone 1127.81
    n-hexadecane 5.13
    acetophenone 431.13
    methyl propionate 2242.55
    isopentyl acetate 859.65
    trichloroethylene 1492.02
    n-nonanol 136.08
    cyclohexanol 643.92
    benzyl alcohol 415.02
    2-ethylhexanol 355.37
    isooctanol 192.51
    dipropyl ether 332.02
    1,2-dichlorobenzene 261.16
    ethyl lactate 270.9
    propylene carbonate 666.81
    n-methylformamide 2723.88
    2-pentanol 1056.56
    n-pentane 21.88
    1-propoxy-2-propanol 1018.02
    1-methoxy-2-propyl acetate 951.52
    2-(2-methoxypropoxy) propanol 411.62
    mesitylene 130.88
    ε-caprolactone 1229.62
    p-cymene 68.88
    epichlorohydrin 2133.9
    1,1,1-trichloroethane 453.27
    2-aminoethanol 1171.03
    morpholine-4-carbaldehyde 1626.63
    sulfolane 2117.17
    2,2,4-trimethylpentane 24.45
    2-methyltetrahydrofuran 1568.32
    n-hexyl acetate 430.24
    isooctane 23.37
    2-(2-butoxyethoxy)ethanol 725.85
    sec-butyl acetate 592.53
    tert-butyl acetate 1031.04
    decalin 23.08
    glycerin 510.97
    diglyme 1176.79
    acrylic acid 517.74
    isopropyl myristate 123.51
    n-butyric acid 1232.7
    acetyl acetate 383.42
    di(2-ethylhexyl) phthalate 112.9
    ethyl propionate 784.47
    nitromethane 1474.03
    1,2-diethoxyethane 925.82
    benzonitrile 367.18
    trioctyl phosphate 87.32
    1-bromopropane 495.81
    gamma-valerolactone 2083.73
    n-decanol 105.67
    triethyl phosphate 123.37
    4-methyl-2-pentanol 445.1
    propionitrile 785.71
    vinylene carbonate 470.84
    1,1,2-trichlorotrifluoroethane 947.96
    DMS 348.28
    cumene 104.8
    2-octanol 134.64
    2-hexanone 980.27
    octyl acetate 165.77
    limonene 118.02
    1,2-dimethoxyethane 1338.03
    ethyl orthosilicate 126.87
    tributyl phosphate 120.14
    diacetone alcohol 1288.64
    N,N-dimethylaniline 294.53
    acrylonitrile 936.92
    aniline 571.49
    1,3-propanediol 1226.98
    bromobenzene 291.13
    dibromomethane 438.6
    1,1,2,2-tetrachloroethane 1185.41
    2-methyl-cyclohexyl acetate 272.34
    tetrabutyl urea 168.27
    diisobutyl methanol 155.86
    2-phenylethanol 393.64
    styrene 202.33
    dioctyl adipate 172.74
    dimethyl sulfate 693.82
    ethyl butyrate 461.59
    methyl lactate 549.33
    butyl lactate 297.0
    diethyl carbonate 203.45
    propanediol butyl ether 512.26
    triethyl orthoformate 217.02
    p-tert-butyltoluene 70.1
    methyl 4-tert-butylbenzoate 251.03
    morpholine 1867.68
    tert-butylamine 740.27
    n-dodecanol 74.52
    dimethoxymethane 2101.89
    ethylene carbonate 404.75
    cyrene 348.3
    2-ethoxyethyl acetate 570.25
    2-ethylhexyl acetate 548.89
    1,2,4-trichlorobenzene 343.59
    4-methylpyridine 1120.08
    dibutyl ether 210.69
    2,6-dimethyl-4-heptanol 155.86
    DEF 2809.11
    dimethyl isosorbide 617.33
    tetrachloroethylene 566.59
    eugenol 278.49
    triacetin 282.96
    span 80 308.04
    1,4-butanediol 404.65
    1,1-dichloroethane 779.78
    2-methyl-1-pentanol 824.02
    methyl formate 739.47
    2-methyl-1-butanol 1227.42
    n-decane 6.96
    butyronitrile 712.59
    3,7-dimethyl-1-octanol 205.52
    1-chlorooctane 67.63
    1-chlorotetradecane 23.33
    n-nonane 6.15
    undecane 5.49
    tert-butylcyclohexane 32.22
    cyclooctane 6.45
    cyclopentanol 748.96
    tetrahydropyran 950.8
    tert-amyl methyl ether 1102.76
    2,5,8-trioxanonane 643.82
    1-hexene 377.43
    2-isopropoxyethanol 918.25
    2,2,2-trifluoroethanol 142.16
    methyl butyrate 995.91

    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