2-Butylphenol

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  • Identifiers

    CAS number
    3180-09-4

    Molecular formula
    C10H14O

    SMILES
    CCCCC1=CC=CC=C1O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 81.71%
    Spicy 67.24%
    Smoky 60.03%
    Medicinal 54.79%
    Leathery 41.39%
    Burnt 40.22%
    Animal 36.78%
    Sweet 36.22%
    Woody 35.22%
    Balsamic 33.46%

     

    Flavor
    Phenolic 74.06%
    Medicinal 62.06%
    Spicy 42.82%
    Phenol 39.26%
    Smoky 37.34%
    Spice 37.08%
    Smoke 31.11%
    Woody 29.35%
    Guaiacol 29.19%
    Herbal 26.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    9.36 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    232°C

    Flash point

    • 111.26 ˚C est.

  • Synonyms

    • 2-BUTYLPHENOL
    • o-Butylphenol
    • I1WS5HQ96Y
    • NSC 60291
    • NSC-60291
    • UNII-I1WS5HQ96Y
    • BRN 2246561
    • AI3-22445
    • DTXSID0062898
    • UN 2228
    • UN 2229
    • 4-06-00-03267 (Beilstein Handbook Reference)
    • RefChem:86050
    • DTXCID9038426
    • GJYCVCVHRSWLNY-UHFFFAOYSA-N
    • Butylphenol
    • Phenol, 2-butyl-
    • 3180-09-4
    • 2-n-Butylphenol
    • Phenol, o-butyl-
    • 1-Hydroxy-2-n-butylbenzene
    • 28805-86-9
    • Phenol, butyl-
    • butyl phenol
    • o-n-butylphenol
    • 2-butyl-phenol
    • WLN: QR B4
    • SCHEMBL20232
    • SCHEMBL186697
    • SCHEMBL3032977
    • SCHEMBL3591597
    • SCHEMBL6222946
    • SCHEMBL6222948
    • SCHEMBL11652550
    • SCHEMBL11780321
    • SCHEMBL27481068
    • SCHEMBL29450060
    • NSC60291
    • AKOS006370677
    • NS00050566
    • EN300-189786
    • A1-38812
    • Q27280263
    • 3180-09-4

  • Applications

    2-Butylphenol (CAS 3180-09-4) is chiefly used as an organic synthesis intermediate. In industry, it serves as a building block for specialty chemicals such as dyes and pigments and for the production of polymer additives, including hindered phenol antioxidants and UV stabilizers for plastics and coatings. It also appears in fragrance and cosmetics applications as a fragrance ingredient or fixative, and as a precursor for coating, ink, and adhesive formulations. In some cases it may be evaluated as an intermediate for agrochemical or pharmaceutical syntheses, but such uses depend on specific regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11249.98
    methanol 6773.83
    isopropanol 9373.74
    water 0.25
    ethyl acetate 7498.16
    n-propanol 8803.54
    acetone 9711.54
    n-butanol 6554.03
    acetonitrile 10853.38
    DMF 6614.88
    toluene 1196.23
    isobutanol 5646.67
    1,4-dioxane 6749.94
    methyl acetate 5610.41
    THF 7205.44
    2-butanone 6393.4
    n-pentanol 3012.12
    sec-butanol 5441.41
    n-hexane 503.71
    ethylene glycol 497.8
    NMP 1915.37
    cyclohexane 645.17
    DMSO 6155.82
    n-butyl acetate 5514.88
    n-octanol 984.94
    chloroform 7101.93
    n-propyl acetate 3011.21
    acetic acid 2885.43
    dichloromethane 8360.14
    cyclohexanone 5052.97
    propylene glycol 903.36
    isopropyl acetate 2827.54
    DMAc 2403.9
    2-ethoxyethanol 2302.42
    isopentanol 4098.79
    n-heptane 373.85
    ethyl formate 3984.78
    1,2-dichloroethane 6233.92
    n-hexanol 4313.83
    2-methoxyethanol 5307.75
    isobutyl acetate 1355.61
    tetrachloromethane 784.01
    n-pentyl acetate 1313.31
    transcutol 5540.76
    n-heptanol 1128.94
    ethylbenzene 540.86
    MIBK 1922.21
    2-propoxyethanol 3936.11
    tert-butanol 6824.63
    MTBE 5452.13
    2-butoxyethanol 1513.7
    propionic acid 3273.43
    o-xylene 455.16
    formic acid 431.2
    diethyl ether 7747.12
    m-xylene 650.07
    p-xylene 596.61
    chlorobenzene 1704.62
    dimethyl carbonate 897.69
    n-octane 127.16
    formamide 1276.02
    cyclopentanone 4865.1
    2-pentanone 5632.35
    anisole 1249.81
    cyclopentyl methyl ether 2751.74
    gamma-butyrolactone 4924.44
    1-methoxy-2-propanol 3653.59
    pyridine 4715.42
    3-pentanone 2748.73
    furfural 2468.74
    n-dodecane 92.26
    diethylene glycol 1477.04
    diisopropyl ether 1222.38
    tert-amyl alcohol 3511.05
    acetylacetone 2952.73
    n-hexadecane 103.89
    acetophenone 857.6
    methyl propionate 3997.72
    isopentyl acetate 3149.14
    trichloroethylene 7687.94
    n-nonanol 737.71
    cyclohexanol 2604.62
    benzyl alcohol 850.03
    2-ethylhexanol 1826.89
    isooctanol 776.03
    dipropyl ether 2970.11
    1,2-dichlorobenzene 1031.73
    ethyl lactate 554.98
    propylene carbonate 2313.48
    n-methylformamide 4062.75
    2-pentanol 3570.4
    n-pentane 531.78
    1-propoxy-2-propanol 2987.3
    1-methoxy-2-propyl acetate 2090.28
    2-(2-methoxypropoxy) propanol 726.17
    mesitylene 353.56
    ε-caprolactone 3394.36
    p-cymene 345.14
    epichlorohydrin 6416.67
    1,1,1-trichloroethane 3870.77
    2-aminoethanol 1779.45
    morpholine-4-carbaldehyde 2355.75
    sulfolane 3099.7
    2,2,4-trimethylpentane 146.18
    2-methyltetrahydrofuran 5606.47
    n-hexyl acetate 1668.05
    isooctane 167.04
    2-(2-butoxyethoxy)ethanol 1332.12
    sec-butyl acetate 1380.96
    tert-butyl acetate 1908.22
    decalin 185.37
    glycerin 714.56
    diglyme 2753.06
    acrylic acid 1611.57
    isopropyl myristate 511.16
    n-butyric acid 5737.36
    acetyl acetate 1690.22
    di(2-ethylhexyl) phthalate 296.77
    ethyl propionate 2052.26
    nitromethane 5707.5
    1,2-diethoxyethane 3488.39
    benzonitrile 1692.85
    trioctyl phosphate 294.03
    1-bromopropane 4493.63
    gamma-valerolactone 4669.74
    n-decanol 529.15
    triethyl phosphate 394.34
    4-methyl-2-pentanol 1139.81
    propionitrile 7346.23
    vinylene carbonate 2003.68
    1,1,2-trichlorotrifluoroethane 1862.2
    DMS 802.04
    cumene 318.3
    2-octanol 664.14
    2-hexanone 2778.39
    octyl acetate 648.27
    limonene 644.17
    1,2-dimethoxyethane 4806.69
    ethyl orthosilicate 404.12
    tributyl phosphate 386.55
    diacetone alcohol 1657.83
    N,N-dimethylaniline 553.61
    acrylonitrile 5696.71
    aniline 1593.24
    1,3-propanediol 2866.93
    bromobenzene 1758.09
    dibromomethane 5742.44
    1,1,2,2-tetrachloroethane 4962.8
    2-methyl-cyclohexyl acetate 837.45
    tetrabutyl urea 472.87
    diisobutyl methanol 718.5
    2-phenylethanol 1133.87
    styrene 838.01
    dioctyl adipate 571.62
    dimethyl sulfate 818.55
    ethyl butyrate 2406.58
    methyl lactate 753.96
    butyl lactate 759.93
    diethyl carbonate 1123.15
    propanediol butyl ether 1042.58
    triethyl orthoformate 1018.8
    p-tert-butyltoluene 342.57
    methyl 4-tert-butylbenzoate 571.78
    morpholine 9037.38
    tert-butylamine 4473.72
    n-dodecanol 397.86
    dimethoxymethane 4165.62
    ethylene carbonate 2058.19
    cyrene 479.1
    2-ethoxyethyl acetate 1459.43
    2-ethylhexyl acetate 2013.91
    1,2,4-trichlorobenzene 988.92
    4-methylpyridine 4202.93
    dibutyl ether 1748.88
    2,6-dimethyl-4-heptanol 718.5
    DEF 4258.59
    dimethyl isosorbide 1092.1
    tetrachloroethylene 2971.57
    eugenol 586.21
    triacetin 787.69
    span 80 711.33
    1,4-butanediol 717.24
    1,1-dichloroethane 7641.68
    2-methyl-1-pentanol 1823.75
    methyl formate 2378.08
    2-methyl-1-butanol 3483.33
    n-decane 160.26
    butyronitrile 8286.73
    3,7-dimethyl-1-octanol 864.64
    1-chlorooctane 639.4
    1-chlorotetradecane 222.83
    n-nonane 172.16
    undecane 119.47
    tert-butylcyclohexane 185.54
    cyclooctane 159.48
    cyclopentanol 2806.21
    tetrahydropyran 8372.78
    tert-amyl methyl ether 2189.78
    2,5,8-trioxanonane 1340.83
    1-hexene 2320.87
    2-isopropoxyethanol 1424.1
    2,2,2-trifluoroethanol 483.16
    methyl butyrate 3218.08

    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