4-sec-Butylphenol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    99-71-8

    Molecular formula
    C10H14O

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

    Safety labels

    Corrosive
    Corrosive

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 80.14%
    Spicy 66.4%
    Medicinal 55.15%
    Smoky 55.0%
    Leathery 51.8%
    Woody 44.56%
    Animal 40.92%
    Herbal 37.93%
    Burnt 35.73%
    Dry 27.28%

     

    Flavor
    Medicinal 52.79%
    Woody 50.9%
    Phenolic 50.21%
    Spice 44.79%
    Spicy 37.57%
    Herbal 34.3%
    Camphor 30.26%
    Guaiacol 26.64%
    Leather 26.09%
    Creosote 24.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    10.38 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    240°C

    Flash point

    • 107.82 ˚C est.

  • Synonyms

    • 4-sec-Butylphenol
    • 99-71-8
    • p-sec-Butylphenol
    • 4-(1-Methylpropyl)phenol
    • 4-(2-Butyl)phenol
    • Phenol, 4-(1-methylpropyl)-
    • 4-(Butan-2-yl)phenol
    • 1-Hydroxy-4-sec-butylbenzene
    • P-(SEC-BUTYL)PHENOL
    • Phenol, p-(sec-butyl)-
    • WU4KME5B3X
    • NSC 2210
    • EINECS 202-781-5
    • BRN 1364714
    • DTXSID7022332
    • AI3-18887
    • NSC-2210
    • DTXCID502332
    • RefChem:526708
    • 202-781-5
    • InChI=1/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H
    • Phenol, p-sec-butyl-
    • 4-butan-2-ylphenol
    • 4-(sec-Butyl)phenol
    • MFCD00002375
    • CHEMBL29398
    • Para Sec Butyl Phenol
    • CAS-99-71-8
    • UNII-WU4KME5B3X
    • 4-s-butylphenol
    • 4-sec-Butyl-phenol
    • 4-(methylpropyl)phenol
    • p-(1-Methylpropyl)phenol
    • 4-sec-Butylphenol, 96%
    • 4-(1-methylpropyl )phenol
    • SCHEMBL85692
    • SCHEMBL715256
    • orb3029094
    • SCHEMBL7338229
    • SCHEMBL7750798
    • SCHEMBL7768582
    • CHEBI:34442
    • Phenol, 4- (1-methylpropyl)-
    • NSC2210
    • AAA09971
    • (+/-)-4-SEC-BUTYLPHENOL
    • Tox21_200416
    • Tox21_300086
    • BDBM50410505
    • EBC-14697
    • MSK165524
    • AKOS000120841
    • NCGC00164058-01
    • NCGC00164058-02
    • NCGC00164058-03
    • NCGC00254062-01
    • NCGC00257970-01
    • BS-23278
    • SY051517
    • B0733
    • CS-0204829
    • NS00008994
    • ST51037932
    • EN300-20872
    • D95332
    • Q27116072
    • Z104484172
    • 99-71-8

  • Applications

    4-sec-Butylphenol (CAS 99-71-8) is used primarily as a chemical intermediate in the synthesis of specialty chemicals and as a fragrance ingredient. In perfumery, it may serve as an odorant or fragrance ingredient; in cosmetics and personal care, it is used as a fragrance additive. In industrial manufacturing, it acts as a precursor for polymers and plastics, coating formulations and adhesive systems. It may also be used as a precursor for antioxidants and UV stabilizers employed in plastics and coatings. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9430.14
    methanol 7849.8
    isopropanol 5763.36
    water 0.68
    ethyl acetate 14233.45
    n-propanol 9201.99
    acetone 17852.85
    n-butanol 6195.19
    acetonitrile 11082.48
    DMF 10175.41
    toluene 1596.78
    isobutanol 4694.38
    1,4-dioxane 8301.51
    methyl acetate 10337.55
    THF 14271.17
    2-butanone 13591.0
    n-pentanol 2819.56
    sec-butanol 4425.97
    n-hexane 251.67
    ethylene glycol 872.58
    NMP 5162.5
    cyclohexane 257.94
    DMSO 13781.74
    n-butyl acetate 5905.22
    n-octanol 567.87
    chloroform 5883.73
    n-propyl acetate 4415.1
    acetic acid 3439.04
    dichloromethane 8756.82
    cyclohexanone 7811.86
    propylene glycol 1316.55
    isopropyl acetate 4680.3
    DMAc 3995.66
    2-ethoxyethanol 4186.76
    isopentanol 3892.74
    n-heptane 116.98
    ethyl formate 5266.8
    1,2-dichloroethane 8657.76
    n-hexanol 3219.1
    2-methoxyethanol 8866.93
    isobutyl acetate 1542.8
    tetrachloromethane 978.16
    n-pentyl acetate 1469.85
    transcutol 12241.2
    n-heptanol 695.14
    ethylbenzene 550.98
    MIBK 2928.31
    2-propoxyethanol 6008.44
    tert-butanol 5091.28
    MTBE 7372.99
    2-butoxyethanol 1652.26
    propionic acid 5158.6
    o-xylene 619.5
    formic acid 1048.12
    diethyl ether 10276.55
    m-xylene 917.51
    p-xylene 599.35
    chlorobenzene 2248.7
    dimethyl carbonate 2168.4
    n-octane 34.91
    formamide 4320.15
    cyclopentanone 12316.38
    2-pentanone 10725.62
    anisole 2022.41
    cyclopentyl methyl ether 5781.92
    gamma-butyrolactone 12751.63
    1-methoxy-2-propanol 5566.63
    pyridine 5878.39
    3-pentanone 6530.45
    furfural 4753.96
    n-dodecane 21.9
    diethylene glycol 2439.07
    diisopropyl ether 1559.96
    tert-amyl alcohol 3719.73
    acetylacetone 6148.03
    n-hexadecane 26.69
    acetophenone 1274.8
    methyl propionate 9301.44
    isopentyl acetate 3366.83
    trichloroethylene 10637.77
    n-nonanol 446.04
    cyclohexanol 2503.37
    benzyl alcohol 1137.34
    2-ethylhexanol 1229.64
    isooctanol 487.8
    dipropyl ether 2567.04
    1,2-dichlorobenzene 1488.75
    ethyl lactate 765.29
    propylene carbonate 3683.73
    n-methylformamide 11152.48
    2-pentanol 3151.29
    n-pentane 235.14
    1-propoxy-2-propanol 3325.94
    1-methoxy-2-propyl acetate 3954.29
    2-(2-methoxypropoxy) propanol 978.48
    mesitylene 454.81
    ε-caprolactone 5867.33
    p-cymene 288.11
    epichlorohydrin 13398.55
    1,1,1-trichloroethane 5046.19
    2-aminoethanol 2928.93
    morpholine-4-carbaldehyde 4943.02
    sulfolane 8938.54
    2,2,4-trimethylpentane 120.33
    2-methyltetrahydrofuran 11771.11
    n-hexyl acetate 1905.21
    isooctane 109.29
    2-(2-butoxyethoxy)ethanol 2005.17
    sec-butyl acetate 1988.87
    tert-butyl acetate 3685.24
    decalin 123.41
    glycerin 1037.43
    diglyme 4230.93
    acrylic acid 2812.39
    isopropyl myristate 431.53
    n-butyric acid 6514.27
    acetyl acetate 2837.2
    di(2-ethylhexyl) phthalate 305.24
    ethyl propionate 3713.28
    nitromethane 12333.75
    1,2-diethoxyethane 5406.49
    benzonitrile 1819.71
    trioctyl phosphate 269.3
    1-bromopropane 3677.19
    gamma-valerolactone 10375.89
    n-decanol 311.49
    triethyl phosphate 442.5
    4-methyl-2-pentanol 1093.66
    propionitrile 6967.41
    vinylene carbonate 2728.16
    1,1,2-trichlorotrifluoroethane 3435.55
    DMS 1521.46
    cumene 311.73
    2-octanol 402.56
    2-hexanone 4054.66
    octyl acetate 586.98
    limonene 565.04
    1,2-dimethoxyethane 6203.76
    ethyl orthosilicate 468.82
    tributyl phosphate 420.04
    diacetone alcohol 3152.71
    N,N-dimethylaniline 743.65
    acrylonitrile 7173.69
    aniline 2585.18
    1,3-propanediol 3932.25
    bromobenzene 2179.19
    dibromomethane 5079.41
    1,1,2,2-tetrachloroethane 6256.9
    2-methyl-cyclohexyl acetate 915.89
    tetrabutyl urea 457.46
    diisobutyl methanol 515.82
    2-phenylethanol 1401.6
    styrene 833.13
    dioctyl adipate 563.83
    dimethyl sulfate 2520.75
    ethyl butyrate 2626.4
    methyl lactate 1380.15
    butyl lactate 905.18
    diethyl carbonate 1192.68
    propanediol butyl ether 1265.51
    triethyl orthoformate 1044.42
    p-tert-butyltoluene 303.87
    methyl 4-tert-butylbenzoate 680.72
    morpholine 12999.17
    tert-butylamine 2868.36
    n-dodecanol 215.39
    dimethoxymethane 7675.34
    ethylene carbonate 2789.21
    cyrene 780.44
    2-ethoxyethyl acetate 2581.18
    2-ethylhexyl acetate 2278.48
    1,2,4-trichlorobenzene 1696.76
    4-methylpyridine 5555.89
    dibutyl ether 1271.16
    2,6-dimethyl-4-heptanol 515.82
    DEF 7783.63
    dimethyl isosorbide 1909.07
    tetrachloroethylene 4014.9
    eugenol 685.04
    triacetin 1037.89
    span 80 768.91
    1,4-butanediol 962.04
    1,1-dichloroethane 7075.51
    2-methyl-1-pentanol 1960.74
    methyl formate 5890.23
    2-methyl-1-butanol 3820.27
    n-decane 43.49
    butyronitrile 6807.6
    3,7-dimethyl-1-octanol 668.06
    1-chlorooctane 366.33
    1-chlorotetradecane 101.22
    n-nonane 43.69
    undecane 30.12
    tert-butylcyclohexane 139.19
    cyclooctane 80.64
    cyclopentanol 3502.91
    tetrahydropyran 11043.67
    tert-amyl methyl ether 3259.39
    2,5,8-trioxanonane 1817.07
    1-hexene 1359.2
    2-isopropoxyethanol 2257.6
    2,2,2-trifluoroethanol 836.48
    methyl butyrate 4876.66

    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