Octyl phenol

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  • Identifiers

    CAS number
    949-13-3

    Molecular formula
    C14H22O

    SMILES
    CCCCCCCCC1=CC=CC=C1O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Spicy 52.91%
    Phenolic 46.76%
    Smoky 31.85%
    Balsamic 31.24%
    Burnt 29.82%
    Animal 28.45%
    Waxy 28.41%
    Sweet 24.97%
    Leathery 24.33%
    Medicinal 22.75%

     

    Flavor
    Phenolic 31.86%
    Mild 28.09%
    Spice 25.28%
    Medicinal 24.68%
    Herbal 24.62%
    Woody 23.29%
    Creosote 23.16%
    Spicy 22.56%
    Fatty 22.46%
    Thymol 22.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    9.32 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 139.3 ˚C est.

  • Synonyms

    • Phenol, 2-octyl-
    • o-Octylphenol
    • 2-OCTYLPHENOL
    • 949-13-3
    • Phenol, o-octyl-
    • 2-n-Octylphenol
    • 67554-50-1
    • EINECS 266-717-8
    • Phenol, octyl
    • EINECS 213-437-9
    • BRN 1951485
    • tertoctylphenol
    • SCHEMBL18808
    • 4-06-00-03472 (Beilstein Handbook Reference)
    • DTXSID3061344
    • (1,1,3,3Tetramethylbutyl)phenol
    • STL453721
    • Phenol, (1,1,3,3tetramethylbutyl)
    • NS00006912
    • 266-717-8
    • Phenol, 2-octyl-; Phenol, o-octyl- (6CI,7CI,8CI); 2-Octylphenol; o-Octylphenol; 2-n-Octylphenol

  • Applications

    Octyl phenol (CAS 949-13-3) is primarily used as an intermediate in the production of alkylphenol resins and related phenolic resin systems that serve as tackifiers and binders in coatings and adhesives; it is a precursor to octylphenol ethoxylates, nonionic surfactants widely used in detergents, paints, coatings, and agricultural formulation adjuvants to improve wetting and dispersion; it functions as a building block for phenolic antioxidants and UV stabilizers used to extend the durability of polymers and coatings; and it provides feedstock for alkylphenol resins used as tackifiers in adhesives and printing inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33253.8
    methanol 21311.18
    isopropanol 25755.07
    water 0.02
    ethyl acetate 36015.39
    n-propanol 27822.6
    acetone 44740.46
    n-butanol 19396.34
    acetonitrile 24918.43
    DMF 18211.81
    toluene 4243.16
    isobutanol 16206.33
    1,4-dioxane 21344.72
    methyl acetate 20163.78
    THF 23986.17
    2-butanone 29700.77
    n-pentanol 8767.26
    sec-butanol 16741.38
    n-hexane 2928.04
    ethylene glycol 472.81
    NMP 4073.6
    cyclohexane 2946.7
    DMSO 17566.85
    n-butyl acetate 17647.91
    n-octanol 1676.14
    chloroform 14562.72
    n-propyl acetate 14600.74
    acetic acid 4480.12
    dichloromethane 20673.34
    cyclohexanone 17616.45
    propylene glycol 1354.73
    isopropyl acetate 15225.9
    DMAc 7014.02
    2-ethoxyethanol 8677.76
    isopentanol 12754.69
    n-heptane 922.47
    ethyl formate 8650.58
    1,2-dichloroethane 20786.4
    n-hexanol 9446.36
    2-methoxyethanol 16885.22
    isobutyl acetate 5962.37
    tetrachloromethane 2000.35
    n-pentyl acetate 4840.38
    transcutol 20571.64
    n-heptanol 2112.6
    ethylbenzene 1640.94
    MIBK 8909.97
    2-propoxyethanol 11642.58
    tert-butanol 22533.77
    MTBE 36399.69
    2-butoxyethanol 3893.42
    propionic acid 6415.79
    o-xylene 1365.76
    formic acid 466.23
    diethyl ether 51889.83
    m-xylene 1913.8
    p-xylene 1714.63
    chlorobenzene 4222.9
    dimethyl carbonate 2156.29
    n-octane 305.79
    formamide 1785.1
    cyclopentanone 14192.46
    2-pentanone 26964.55
    anisole 3873.14
    cyclopentyl methyl ether 11886.97
    gamma-butyrolactone 11249.0
    1-methoxy-2-propanol 12520.97
    pyridine 13636.17
    3-pentanone 13524.48
    furfural 4782.62
    n-dodecane 148.4
    diethylene glycol 2829.48
    diisopropyl ether 7538.75
    tert-amyl alcohol 12686.73
    acetylacetone 11493.97
    n-hexadecane 178.36
    acetophenone 2383.41
    methyl propionate 15339.72
    isopentyl acetate 10683.04
    trichloroethylene 19506.11
    n-nonanol 1394.29
    cyclohexanol 7552.04
    benzyl alcohol 2078.98
    2-ethylhexanol 4055.28
    isooctanol 1794.37
    dipropyl ether 13464.19
    1,2-dichlorobenzene 2565.07
    ethyl lactate 1452.77
    propylene carbonate 5004.83
    n-methylformamide 9116.88
    2-pentanol 12603.97
    n-pentane 2133.62
    1-propoxy-2-propanol 8577.56
    1-methoxy-2-propyl acetate 7348.38
    2-(2-methoxypropoxy) propanol 1636.06
    mesitylene 1019.9
    ε-caprolactone 11057.65
    p-cymene 756.15
    epichlorohydrin 18636.24
    1,1,1-trichloroethane 12106.04
    2-aminoethanol 2994.95
    morpholine-4-carbaldehyde 5800.57
    sulfolane 7368.76
    2,2,4-trimethylpentane 468.62
    2-methyltetrahydrofuran 22048.84
    n-hexyl acetate 4824.61
    isooctane 489.2
    2-(2-butoxyethoxy)ethanol 3481.8
    sec-butyl acetate 7021.5
    tert-butyl acetate 10116.61
    decalin 593.19
    glycerin 929.42
    diglyme 8077.07
    acrylic acid 2374.89
    isopropyl myristate 1290.01
    n-butyric acid 14920.12
    acetyl acetate 5643.36
    di(2-ethylhexyl) phthalate 559.36
    ethyl propionate 9562.18
    nitromethane 12861.66
    1,2-diethoxyethane 17499.94
    benzonitrile 3585.61
    trioctyl phosphate 573.41
    1-bromopropane 17675.49
    gamma-valerolactone 14400.67
    n-decanol 947.4
    triethyl phosphate 1032.06
    4-methyl-2-pentanol 4038.3
    propionitrile 21082.45
    vinylene carbonate 3603.67
    1,1,2-trichlorotrifluoroethane 4486.9
    DMS 2219.27
    cumene 823.22
    2-octanol 1391.73
    2-hexanone 12884.16
    octyl acetate 1547.02
    limonene 1724.4
    1,2-dimethoxyethane 19691.64
    ethyl orthosilicate 1195.19
    tributyl phosphate 858.21
    diacetone alcohol 6226.62
    N,N-dimethylaniline 1495.76
    acrylonitrile 13433.25
    aniline 4732.03
    1,3-propanediol 6094.33
    bromobenzene 4353.06
    dibromomethane 14546.35
    1,1,2,2-tetrachloroethane 13818.56
    2-methyl-cyclohexyl acetate 2309.01
    tetrabutyl urea 1017.45
    diisobutyl methanol 1787.89
    2-phenylethanol 2376.51
    styrene 2669.9
    dioctyl adipate 1348.3
    dimethyl sulfate 1963.43
    ethyl butyrate 8593.83
    methyl lactate 1832.74
    butyl lactate 2098.28
    diethyl carbonate 3106.48
    propanediol butyl ether 1908.63
    triethyl orthoformate 3243.94
    p-tert-butyltoluene 754.52
    methyl 4-tert-butylbenzoate 1219.02
    morpholine 32810.02
    tert-butylamine 14888.24
    n-dodecanol 667.8
    dimethoxymethane 17793.2
    ethylene carbonate 4406.94
    cyrene 930.91
    2-ethoxyethyl acetate 5275.8
    2-ethylhexyl acetate 6700.75
    1,2,4-trichlorobenzene 2434.81
    4-methylpyridine 13094.02
    dibutyl ether 7556.96
    2,6-dimethyl-4-heptanol 1787.89
    DEF 17312.86
    dimethyl isosorbide 2547.84
    tetrachloroethylene 8029.68
    eugenol 1114.18
    triacetin 1988.9
    span 80 1416.62
    1,4-butanediol 1327.07
    1,1-dichloroethane 23815.32
    2-methyl-1-pentanol 5513.73
    methyl formate 4305.39
    2-methyl-1-butanol 10726.8
    n-decane 330.07
    butyronitrile 23362.31
    3,7-dimethyl-1-octanol 2013.05
    1-chlorooctane 1570.67
    1-chlorotetradecane 408.22
    n-nonane 370.52
    undecane 208.56
    tert-butylcyclohexane 586.54
    cyclooctane 611.78
    cyclopentanol 6925.13
    tetrahydropyran 37916.74
    tert-amyl methyl ether 12641.1
    2,5,8-trioxanonane 3028.29
    1-hexene 11727.11
    2-isopropoxyethanol 5509.7
    2,2,2-trifluoroethanol 632.11
    methyl butyrate 14319.72

    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