4-Tert-octylphenol

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  • Identifiers

    CAS number
    140-66-9

    Molecular formula
    C14H22O

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

    Safety labels

    Corrosive
    Corrosive

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 54.61%
    Leathery 51.45%
    Woody 49.84%
    Spicy 43.1%
    Dry 40.01%
    Animal 36.68%
    Medicinal 33.46%
    Smoky 31.25%
    Vetiver 29.59%
    Amber 29.46%

     

    Flavor
    Phenolic 34.4%
    Camphor 33.45%
    Woody 28.3%
    Mild 26.94%
    Musty 26.6%
    Leather 25.2%
    Creosote 21.66%
    Medicinal 21.08%
    Spice 20.71%
    Guaiacol 20.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    9.6 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 85 °C
    • 84.5 °C

    Boiling point

    • 279 °C

    Flash point

    • 132.3 ˚C est.

  • Synonyms

    • 4-tert-Octylphenol
    • 140-66-9
    • 4-(2,4,4-trimethylpentan-2-yl)phenol
    • 4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOL
    • p-tert-Octylphenol
    • 4-t-Octylphenol
    • Phenol, 4-(1,1,3,3-tetramethylbutyl)-
    • p-Terc.oktylfenol
    • p-(1,1,3,3-Tetramethylbutyl)phenol
    • para-tert-Octylphenol
    • Phenol, p-(tert-octyl)-
    • Phenol, p-(1,1,3,3-tetramethylbutyl)-
    • DTXSID9022360
    • IOY9FVU3J3
    • p-(1',1',3',3'-Tetramethylbutyl)fenol
    • NSC-5427
    • NSC-7248
    • p-(1,1,3,3-tetramethylbutyl)-phenol
    • DTXCID602360
    • 4-tertiary-octylphenol
    • RefChem:6769
    • 205-426-2
    • p-Octylphenol (VAN)
    • P-T-Octylphenol
    • MFCD00002368
    • tert-Octylphenol, flaked
    • CHEMBL259327
    • NCGC00164127-02
    • NCGC00164127-03
    • p-(1',1',3',3'-Tetramethylbutyl)phenol
    • p-(1,3,3-Tetramethylbutyl)phenol
    • 4-(1,3,3-Tetramethylbutyl)phenol
    • p-terc.Oktylfenol [Czech]
    • p-(1',3',3'-Tetramethylbutyl)phenol
    • CAS-140-66-9
    • p-(tert-octyl)phenol
    • HSDB 5411
    • NSC 5427
    • EINECS 205-426-2
    • UNII-IOY9FVU3J3
    • WLN: QR DX1 & 1 & 1X1 & 1 & 1
    • BRN 0513992
    • 4-(TERT-OCTYL)PHENOL
    • Octylphenol pt
    • AI3-10011
    • CCRIS 8947
    • 4mga
    • 27L
    • p-tert.-octylphenol
    • 4-tert-octyl-phenol
    • 4-tert.-octylphenol
    • p-(Tert-octyl)-Phenol
    • para-tert.-octyl phenol
    • p-Terc.oktylfenol(Czech)
    • EC 205-426-2
    • 4-tert-Octylphenol, 97%
    • SCHEMBL10141
    • 4-06-00-03484 (Beilstein Handbook Reference)
    • BIDD:ER0044
    • OCTYLPHENOL, 4-TERT-
    • SCHEMBL200171
    • SCHEMBL930516
    • 4-tert-Octylphenol (Standard)
    • orb1685692
    • orb3025985
    • CHEBI:34445
    • HY-B1941R
    • MSK8702
    • NSC5427
    • NSC7248
    • BB_SC-02007
    • HY-B1941
    • Tox21_112084
    • Tox21_400011
    • BBL027379
    • BDBM50423506
    • EBC-03655
    • MSK8702-100A
    • SBB008090
    • STK594853
    • AKOS005516422
    • MSK8702-1000A
    • Tox21_112084_1
    • CCG-275197
    • 4-(1,1,3,3-tetramethylbutyl)-phenol
    • 4-tert-Octylphenol, analytical standard
    • NCGC00164127-01
    • NCGC00164127-04
    • NCGC00164127-05
    • NCGC00164127-06
    • NCGC00164127-07
    • NCGC00181157-01
    • 4-(1,1,3,3-tetramethyl-butyl)-phenol
    • VS-08533
    • DB-063344
    • Phenol, p- (1,1,3,3-tetramethylbutyl)-
    • CS-0013994
    • NS00008649
    • p-(1',1',3', 3'-Tetramethylbutyl)phenol
    • Phenol, 4- (1,1,3,3-tetramethylbutyl)-
    • ST50828074
    • T0144
    • EN300-20811
    • E77202
    • SBI-0653856.0001
    • 4-(2,4,4-TRIMETHYL-2-PENTANYL)PHENOL
    • F225707
    • SR-01000944308
    • SR-01000944308-2
    • 4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOL [HSDB]
    • BRD-K64273664-001-01-6
    • Q15632771
    • 4-(1,1,3,3-Tetramethylbutyl)phenol (ACD/Name 4.0)
    • 4-tert-Octylphenol Solution in Acetonitrile, 1000ug/mL
    • 4-tert-Octylphenol Solution in Acetonitrile, 100ug/mL
    • Z104483006
    • 4-tert-Octylphenol, certified reference material, TraceCERT(R)
    • InChI=1/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H
    • 140-66-9

  • Applications

    4-Tert-octylphenol (CAS 140-66-9) is commonly used as an organic intermediate in the chemical industry. It serves as a building block for antioxidants and UV stabilizers in polymers and coatings, and as a precursor in the synthesis of alkyd and phenolic resins used in coatings, laminates, and related adhesive systems. It is also employed as a precursor for specialty plasticizers and processing aids in polymer formulations, and as a resin-related intermediate in adhesive and sealant formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 545.02
    methanol 476.14
    isopropanol 461.24
    water 0.09
    ethyl acetate 604.89
    n-propanol 476.37
    acetone 603.79
    n-butanol 505.06
    acetonitrile 379.16
    DMF 688.5
    toluene 253.57
    isobutanol 368.98
    1,4-dioxane 773.36
    methyl acetate 454.64
    THF 1935.41
    2-butanone 572.92
    n-pentanol 325.4
    sec-butanol 380.98
    n-hexane 186.55
    ethylene glycol 60.02
    NMP 678.5
    cyclohexane 125.02
    DMSO 362.27
    n-butyl acetate 844.14
    n-octanol 391.36
    chloroform 575.43
    n-propyl acetate 376.13
    acetic acid 231.06
    dichloromethane 474.24
    cyclohexanone 749.44
    propylene glycol 166.02
    isopropyl acetate 469.67
    DMAc 520.45
    2-ethoxyethanol 365.34
    isopentanol 462.41
    n-heptane 217.41
    ethyl formate 311.43
    1,2-dichloroethane 374.72
    n-hexanol 991.71
    2-methoxyethanol 627.47
    isobutyl acetate 320.09
    tetrachloromethane 107.05
    n-pentyl acetate 354.56
    transcutol 1233.29
    n-heptanol 400.24
    ethylbenzene 174.72
    MIBK 498.02
    2-propoxyethanol 1126.45
    tert-butanol 702.65
    MTBE 885.03
    2-butoxyethanol 477.46
    propionic acid 260.52
    o-xylene 171.02
    formic acid 65.67
    diethyl ether 712.54
    m-xylene 272.67
    p-xylene 215.27
    chlorobenzene 265.03
    dimethyl carbonate 206.65
    n-octane 72.34
    formamide 85.36
    cyclopentanone 1021.48
    2-pentanone 626.56
    anisole 375.77
    cyclopentyl methyl ether 878.68
    gamma-butyrolactone 899.35
    1-methoxy-2-propanol 683.77
    pyridine 398.05
    3-pentanone 404.16
    furfural 554.84
    n-dodecane 50.22
    diethylene glycol 437.67
    diisopropyl ether 351.78
    tert-amyl alcohol 512.28
    acetylacetone 545.13
    n-hexadecane 55.4
    acetophenone 274.91
    methyl propionate 481.92
    isopentyl acetate 775.91
    trichloroethylene 603.63
    n-nonanol 323.73
    cyclohexanol 405.81
    benzyl alcohol 196.09
    2-ethylhexanol 615.8
    isooctanol 313.42
    dipropyl ether 825.44
    1,2-dichlorobenzene 243.23
    ethyl lactate 195.45
    propylene carbonate 555.86
    n-methylformamide 301.76
    2-pentanol 398.74
    n-pentane 133.45
    1-propoxy-2-propanol 921.46
    1-methoxy-2-propyl acetate 810.61
    2-(2-methoxypropoxy) propanol 417.83
    mesitylene 200.19
    ε-caprolactone 651.26
    p-cymene 217.17
    epichlorohydrin 903.68
    1,1,1-trichloroethane 431.88
    2-aminoethanol 192.34
    morpholine-4-carbaldehyde 773.29
    sulfolane 797.2
    2,2,4-trimethylpentane 84.42
    2-methyltetrahydrofuran 1116.88
    n-hexyl acetate 599.42
    isooctane 106.14
    2-(2-butoxyethoxy)ethanol 594.33
    sec-butyl acetate 315.06
    tert-butyl acetate 683.3
    decalin 92.92
    glycerin 178.56
    diglyme 896.68
    acrylic acid 174.4
    isopropyl myristate 262.67
    n-butyric acid 478.8
    acetyl acetate 301.78
    di(2-ethylhexyl) phthalate 193.6
    ethyl propionate 360.82
    nitromethane 415.98
    1,2-diethoxyethane 611.44
    benzonitrile 265.59
    trioctyl phosphate 193.24
    1-bromopropane 407.72
    gamma-valerolactone 1087.95
    n-decanol 254.9
    triethyl phosphate 195.51
    4-methyl-2-pentanol 328.97
    propionitrile 378.45
    vinylene carbonate 389.11
    1,1,2-trichlorotrifluoroethane 422.03
    DMS 317.8
    cumene 155.77
    2-octanol 261.73
    2-hexanone 421.22
    octyl acetate 332.33
    limonene 350.96
    1,2-dimethoxyethane 668.61
    ethyl orthosilicate 210.43
    tributyl phosphate 217.21
    diacetone alcohol 599.45
    N,N-dimethylaniline 269.79
    acrylonitrile 309.86
    aniline 234.83
    1,3-propanediol 271.83
    bromobenzene 288.36
    dibromomethane 395.84
    1,1,2,2-tetrachloroethane 515.81
    2-methyl-cyclohexyl acetate 441.9
    tetrabutyl urea 253.1
    diisobutyl methanol 310.99
    2-phenylethanol 386.0
    styrene 170.07
    dioctyl adipate 296.06
    dimethyl sulfate 247.77
    ethyl butyrate 506.44
    methyl lactate 241.55
    butyl lactate 291.63
    diethyl carbonate 281.31
    propanediol butyl ether 448.93
    triethyl orthoformate 357.47
    p-tert-butyltoluene 247.58
    methyl 4-tert-butylbenzoate 363.53
    morpholine 916.43
    tert-butylamine 568.47
    n-dodecanol 198.59
    dimethoxymethane 773.07
    ethylene carbonate 345.75
    cyrene 326.65
    2-ethoxyethyl acetate 397.21
    2-ethylhexyl acetate 610.61
    1,2,4-trichlorobenzene 271.52
    4-methylpyridine 495.83
    dibutyl ether 464.02
    2,6-dimethyl-4-heptanol 310.99
    DEF 514.25
    dimethyl isosorbide 780.02
    tetrachloroethylene 283.02
    eugenol 314.96
    triacetin 357.79
    span 80 427.15
    1,4-butanediol 106.01
    1,1-dichloroethane 463.59
    2-methyl-1-pentanol 323.84
    methyl formate 232.85
    2-methyl-1-butanol 394.13
    n-decane 90.26
    butyronitrile 529.42
    3,7-dimethyl-1-octanol 375.04
    1-chlorooctane 284.78
    1-chlorotetradecane 118.7
    n-nonane 94.13
    undecane 65.64
    tert-butylcyclohexane 126.6
    cyclooctane 73.84
    cyclopentanol 432.66
    tetrahydropyran 951.52
    tert-amyl methyl ether 604.81
    2,5,8-trioxanonane 562.82
    1-hexene 408.28
    2-isopropoxyethanol 316.34
    2,2,2-trifluoroethanol 74.94
    methyl butyrate 422.35

    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