4-n-Octylphenol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1806-26-4

    Molecular formula
    C14H22O

    SMILES
    CCCCCCCCC1=CC=C(C=C1)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Spicy 44.9%
    Phenolic 42.82%
    Waxy 36.77%
    Animal 31.19%
    Smoky 28.69%
    Fatty 27.63%
    Oily 26.83%
    Burnt 26.6%
    Balsamic 26.17%
    Sweet 24.3%

     

    Flavor
    Phenolic 28.02%
    Mild 27.7%
    Spice 24.51%
    Waxy 23.03%
    Creosote 22.5%
    Medicinal 22.02%
    Woody 21.95%
    Thymol 21.94%
    Fatty 21.63%
    Flat 21.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    9.77 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 44-45 °C

    Boiling point

    • 280 °C

    Flash point

    • 142.68 ˚C est.
    • 113 °C
    • 113 °C c.c.

    Solubility expt.

    • Solubility in water: none

  • Synonyms

    • 4-OCTYLPHENOL
    • 4-n-Octylphenol
    • 1806-26-4
    • Phenol, 4-octyl-
    • p-Octylphenol
    • Phenol, p-octyl-
    • 1-(p-Hydroxyphenyl)octane
    • DTXSID9022312
    • 7DF2B8LH3P
    • DTXCID902312
    • CHEBI:34432
    • RefChem:100248
    • 217-302-5
    • para-Octylphenol
    • MFCD00036134
    • MLS001055340
    • NCGC00090986-03
    • SMR000677939
    • 4-n-Octylphenol 10 microg/mL in Isooctane
    • 4-tert-Octylphenol; NSC 5427; NSC 7248;p-t-Octylphenol; p-tert-Octylphenol
    • HSDB 5857
    • EINECS 217-302-5
    • UNII-7DF2B8LH3P
    • p-octyl phenol
    • 4-octyl phenol
    • 4-Octyl-phenol
    • 4-OCTYLBENZOLOL
    • 4-Octylphenol, 99%
    • SCHEMBL18809
    • cid_15730
    • 4-OCTYLPHENOL [HSDB]
    • BIDD:ER0059
    • SCHEMBL598800
    • CHEMBL195437
    • orb2802172
    • orb3025988
    • SCHEMBL1611404
    • BDBM74109
    • 4-Octylphenol, analytical standard
    • WZB81503
    • Tox21_400015
    • MSK000290
    • SBB059157
    • AKOS002685659
    • NCGC00090986-01
    • NCGC00090986-02
    • NCGC00090986-04
    • AS-40771
    • PD015564
    • ST033354
    • CAS-1806-26-4
    • CS-0196879
    • NS00008748
    • A812553
    • Q27116060
    • 1806-26-4

  • Applications

    4-n-Octylphenol (CAS 1806-26-4) serves primarily as a building block for nonionic surfactants, namely octylphenol ethoxylates, which find use in industrial and household cleaners, paints and coatings, and metalworking fluids. It is also an intermediate for alkylphenol–formaldehyde resins used in coatings, laminates, and adhesives. Additionally, it can be a feedstock for specialty chemicals such as hindered phenolic antioxidants and stabilizers for polymers, and may participate in polymer processing formulations as a resin modifier or processing aid.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19177.46
    methanol 10697.23
    isopropanol 13984.62
    water 0.01
    ethyl acetate 22756.07
    n-propanol 16580.82
    acetone 18715.87
    n-butanol 11167.45
    acetonitrile 10720.04
    DMF 6166.33
    toluene 2368.34
    isobutanol 8518.04
    1,4-dioxane 13796.2
    methyl acetate 11188.42
    THF 16551.32
    2-butanone 17640.37
    n-pentanol 6187.92
    sec-butanol 10369.32
    n-hexane 1592.26
    ethylene glycol 329.58
    NMP 1437.25
    cyclohexane 1283.76
    DMSO 9237.79
    n-butyl acetate 9205.65
    n-octanol 910.36
    chloroform 7649.9
    n-propyl acetate 8730.03
    acetic acid 2005.22
    dichloromethane 9863.84
    cyclohexanone 8397.49
    propylene glycol 1146.14
    isopropyl acetate 9962.82
    DMAc 3448.33
    2-ethoxyethanol 6772.81
    isopentanol 7187.02
    n-heptane 507.86
    ethyl formate 3902.6
    1,2-dichloroethane 10423.38
    n-hexanol 5966.92
    2-methoxyethanol 10533.07
    isobutyl acetate 3423.07
    tetrachloromethane 944.75
    n-pentyl acetate 2380.65
    transcutol 15187.48
    n-heptanol 1192.16
    ethylbenzene 957.16
    MIBK 5425.2
    2-propoxyethanol 8426.68
    tert-butanol 12461.58
    MTBE 23265.39
    2-butoxyethanol 2496.91
    propionic acid 3199.25
    o-xylene 765.15
    formic acid 225.38
    diethyl ether 32672.02
    m-xylene 1166.16
    p-xylene 883.78
    chlorobenzene 1837.82
    dimethyl carbonate 1091.93
    n-octane 154.44
    formamide 785.11
    cyclopentanone 7235.42
    2-pentanone 15636.86
    anisole 2306.14
    cyclopentyl methyl ether 7444.48
    gamma-butyrolactone 5174.91
    1-methoxy-2-propanol 8622.09
    pyridine 6595.73
    3-pentanone 7896.35
    furfural 2184.3
    n-dodecane 74.99
    diethylene glycol 2217.92
    diisopropyl ether 4849.78
    tert-amyl alcohol 7966.12
    acetylacetone 6632.08
    n-hexadecane 89.63
    acetophenone 1295.82
    methyl propionate 9200.81
    isopentyl acetate 5987.29
    trichloroethylene 9551.44
    n-nonanol 800.92
    cyclohexanol 4122.05
    benzyl alcohol 1320.18
    2-ethylhexanol 2504.1
    isooctanol 1011.41
    dipropyl ether 9032.61
    1,2-dichlorobenzene 1134.29
    ethyl lactate 944.26
    propylene carbonate 2269.9
    n-methylformamide 3584.98
    2-pentanol 7698.15
    n-pentane 1054.9
    1-propoxy-2-propanol 6024.49
    1-methoxy-2-propyl acetate 5216.47
    2-(2-methoxypropoxy) propanol 1210.18
    mesitylene 608.58
    ε-caprolactone 5551.26
    p-cymene 431.81
    epichlorohydrin 10907.21
    1,1,1-trichloroethane 5720.56
    2-aminoethanol 2159.2
    morpholine-4-carbaldehyde 3127.12
    sulfolane 3569.03
    2,2,4-trimethylpentane 287.4
    2-methyltetrahydrofuran 14042.45
    n-hexyl acetate 2656.08
    isooctane 311.44
    2-(2-butoxyethoxy)ethanol 2539.72
    sec-butyl acetate 4477.21
    tert-butyl acetate 6989.02
    decalin 337.73
    glycerin 707.34
    diglyme 5393.26
    acrylic acid 1071.48
    isopropyl myristate 754.81
    n-butyric acid 7471.93
    acetyl acetate 3282.6
    di(2-ethylhexyl) phthalate 347.03
    ethyl propionate 6279.67
    nitromethane 5205.53
    1,2-diethoxyethane 11614.84
    benzonitrile 1578.35
    trioctyl phosphate 332.78
    1-bromopropane 9710.26
    gamma-valerolactone 7167.49
    n-decanol 573.73
    triethyl phosphate 653.06
    4-methyl-2-pentanol 2522.99
    propionitrile 9996.14
    vinylene carbonate 1525.96
    1,1,2-trichlorotrifluoroethane 2658.34
    DMS 1280.18
    cumene 493.49
    2-octanol 738.79
    2-hexanone 7728.68
    octyl acetate 868.94
    limonene 988.8
    1,2-dimethoxyethane 13018.17
    ethyl orthosilicate 785.92
    tributyl phosphate 501.28
    diacetone alcohol 4322.52
    N,N-dimethylaniline 882.32
    acrylonitrile 5842.91
    aniline 2461.69
    1,3-propanediol 3657.98
    bromobenzene 1971.07
    dibromomethane 7142.03
    1,1,2,2-tetrachloroethane 7269.34
    2-methyl-cyclohexyl acetate 1454.82
    tetrabutyl urea 557.55
    diisobutyl methanol 1114.16
    2-phenylethanol 1475.87
    styrene 1457.38
    dioctyl adipate 818.73
    dimethyl sulfate 967.64
    ethyl butyrate 5120.66
    methyl lactate 1152.32
    butyl lactate 1150.09
    diethyl carbonate 1813.95
    propanediol butyl ether 1224.72
    triethyl orthoformate 2067.7
    p-tert-butyltoluene 452.24
    methyl 4-tert-butylbenzoate 728.52
    morpholine 21534.67
    tert-butylamine 8100.39
    n-dodecanol 403.51
    dimethoxymethane 10643.98
    ethylene carbonate 1902.21
    cyrene 622.19
    2-ethoxyethyl acetate 3190.18
    2-ethylhexyl acetate 3789.48
    1,2,4-trichlorobenzene 1160.43
    4-methylpyridine 5963.41
    dibutyl ether 4372.25
    2,6-dimethyl-4-heptanol 1114.16
    DEF 8791.65
    dimethyl isosorbide 1711.35
    tetrachloroethylene 3984.45
    eugenol 660.86
    triacetin 1187.67
    span 80 995.81
    1,4-butanediol 939.3
    1,1-dichloroethane 11661.35
    2-methyl-1-pentanol 3740.29
    methyl formate 1628.55
    2-methyl-1-butanol 6458.61
    n-decane 173.34
    butyronitrile 11110.06
    3,7-dimethyl-1-octanol 1193.92
    1-chlorooctane 817.11
    1-chlorotetradecane 218.41
    n-nonane 193.46
    undecane 107.84
    tert-butylcyclohexane 357.43
    cyclooctane 313.64
    cyclopentanol 3515.43
    tetrahydropyran 23087.64
    tert-amyl methyl ether 8528.49
    2,5,8-trioxanonane 2169.39
    1-hexene 7331.12
    2-isopropoxyethanol 4139.3
    2,2,2-trifluoroethanol 260.96
    methyl butyrate 7990.64

    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