4-(tert-Butyl)-3,5-dimethylphenol

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  • Identifiers

    CAS number
    71745-55-6

    Molecular formula
    C12H18O

    SMILES
    CC1=CC(=CC(=C1C(C)(C)C)C)O

  • Odor profile

    Fragrance
    Woody 65.09%
    Phenolic 53.9%
    Leathery 49.95%
    Dry 48.93%
    Musk 43.38%
    Spicy 39.87%
    Animal 37.67%
    Amber 36.85%
    Medicinal 30.88%
    Smoky 30.72%

     

    Flavor
    Phenolic 44.98%
    Camphor 39.32%
    Musty 36.58%
    Woody 36.07%
    Leather 31.45%
    Mild 26.45%
    Medicinal 26.43%
    Flat 22.95%
    Thymol 22.42%
    Creosote 22.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.02 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    276°C

    Flash point

    • 124.02 ˚C est.

  • Synonyms

    • 4-(tert-Butyl)-3,5-dimethylphenol
    • 71745-55-6
    • starbld0005835
    • SCHEMBL10256491
    • SY316157

  • Applications

    4-(tert-Butyl)-3,5-dimethylphenol (CAS 71745-55-6) is primarily used as a hindered phenol antioxidant to stabilize polymers and rubber against oxidative and thermal degradation, extending product life in plastics, resins, and elastomer formulations; it is also employed as a stabilizer in coatings, inks, and adhesives, helping to preserve color and performance under environmental exposure; in lubricants and fuels, it can function as an antioxidant additive to prevent oxidation during storage and use; it may be used as an antioxidant additive in cosmetic and personal care formulations at restricted levels; and it can serve as an intermediate in the synthesis of specialty chemicals, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4237.82
    methanol 4778.36
    isopropanol 2447.51
    water 2.83
    ethyl acetate 4066.42
    n-propanol 3066.58
    acetone 6451.73
    n-butanol 2620.67
    acetonitrile 5079.09
    DMF 6663.98
    toluene 1520.23
    isobutanol 1878.18
    1,4-dioxane 8645.24
    methyl acetate 3317.32
    THF 18648.83
    2-butanone 3718.73
    n-pentanol 1409.0
    sec-butanol 1745.44
    n-hexane 726.34
    ethylene glycol 420.6
    NMP 4354.48
    cyclohexane 1236.46
    DMSO 3162.95
    n-butyl acetate 3153.86
    n-octanol 1088.13
    chloroform 4152.99
    n-propyl acetate 1690.66
    acetic acid 1899.36
    dichloromethane 5442.61
    cyclohexanone 5571.98
    propylene glycol 596.99
    isopropyl acetate 1963.0
    DMAc 2052.53
    2-ethoxyethanol 1499.3
    isopentanol 1631.63
    n-heptane 843.41
    ethyl formate 3016.44
    1,2-dichloroethane 3877.53
    n-hexanol 3412.72
    2-methoxyethanol 4005.18
    isobutyl acetate 926.6
    tetrachloromethane 875.24
    n-pentyl acetate 1417.96
    transcutol 3082.71
    n-heptanol 1038.17
    ethylbenzene 600.83
    MIBK 1679.78
    2-propoxyethanol 4283.35
    tert-butanol 2366.59
    MTBE 2829.67
    2-butoxyethanol 1336.76
    propionic acid 1538.13
    o-xylene 593.2
    formic acid 693.13
    diethyl ether 5302.34
    m-xylene 955.53
    p-xylene 718.94
    chlorobenzene 1714.15
    dimethyl carbonate 1436.98
    n-octane 241.15
    formamide 1243.26
    cyclopentanone 7915.05
    2-pentanone 3710.89
    anisole 1282.34
    cyclopentyl methyl ether 6240.84
    gamma-butyrolactone 8513.46
    1-methoxy-2-propanol 3066.74
    pyridine 3259.57
    3-pentanone 2312.78
    furfural 3365.94
    n-dodecane 155.6
    diethylene glycol 1747.37
    diisopropyl ether 1146.13
    tert-amyl alcohol 1421.96
    acetylacetone 3058.29
    n-hexadecane 181.84
    acetophenone 801.87
    methyl propionate 3097.45
    isopentyl acetate 2090.15
    trichloroethylene 4721.8
    n-nonanol 858.18
    cyclohexanol 2266.71
    benzyl alcohol 693.06
    2-ethylhexanol 1465.81
    isooctanol 674.14
    dipropyl ether 2779.13
    1,2-dichlorobenzene 1135.7
    ethyl lactate 515.14
    propylene carbonate 3423.53
    n-methylformamide 3945.76
    2-pentanol 1556.97
    n-pentane 788.93
    1-propoxy-2-propanol 2564.47
    1-methoxy-2-propyl acetate 2299.85
    2-(2-methoxypropoxy) propanol 699.99
    mesitylene 567.37
    ε-caprolactone 3996.82
    p-cymene 510.0
    epichlorohydrin 7658.35
    1,1,1-trichloroethane 2823.01
    2-aminoethanol 1018.53
    morpholine-4-carbaldehyde 4063.96
    sulfolane 4915.07
    2,2,4-trimethylpentane 217.25
    2-methyltetrahydrofuran 8775.81
    n-hexyl acetate 2171.04
    isooctane 253.05
    2-(2-butoxyethoxy)ethanol 1323.8
    sec-butyl acetate 886.94
    tert-butyl acetate 1899.37
    decalin 304.59
    glycerin 581.9
    diglyme 2550.15
    acrylic acid 1063.16
    isopropyl myristate 616.79
    n-butyric acid 2667.82
    acetyl acetate 1694.03
    di(2-ethylhexyl) phthalate 401.26
    ethyl propionate 1502.46
    nitromethane 4914.57
    1,2-diethoxyethane 2266.95
    benzonitrile 1327.29
    trioctyl phosphate 433.93
    1-bromopropane 2915.13
    gamma-valerolactone 7276.06
    n-decanol 597.39
    triethyl phosphate 472.01
    4-methyl-2-pentanol 785.12
    propionitrile 3068.46
    vinylene carbonate 2671.8
    1,1,2-trichlorotrifluoroethane 1687.59
    DMS 1259.39
    cumene 357.56
    2-octanol 756.21
    2-hexanone 1720.33
    octyl acetate 845.8
    limonene 965.86
    1,2-dimethoxyethane 3720.99
    ethyl orthosilicate 497.39
    tributyl phosphate 483.25
    diacetone alcohol 1567.16
    N,N-dimethylaniline 637.26
    acrylonitrile 2744.36
    aniline 1223.01
    1,3-propanediol 1576.72
    bromobenzene 1780.9
    dibromomethane 3540.71
    1,1,2,2-tetrachloroethane 2801.76
    2-methyl-cyclohexyl acetate 960.32
    tetrabutyl urea 626.78
    diisobutyl methanol 666.99
    2-phenylethanol 1174.06
    styrene 669.84
    dioctyl adipate 666.95
    dimethyl sulfate 1298.06
    ethyl butyrate 1627.45
    methyl lactate 839.65
    butyl lactate 730.67
    diethyl carbonate 859.56
    propanediol butyl ether 982.87
    triethyl orthoformate 981.9
    p-tert-butyltoluene 531.47
    methyl 4-tert-butylbenzoate 739.93
    morpholine 8976.61
    tert-butylamine 1705.92
    n-dodecanol 442.36
    dimethoxymethane 6671.04
    ethylene carbonate 2666.93
    cyrene 701.93
    2-ethoxyethyl acetate 1632.13
    2-ethylhexyl acetate 1660.89
    1,2,4-trichlorobenzene 1088.5
    4-methylpyridine 3458.61
    dibutyl ether 1551.15
    2,6-dimethyl-4-heptanol 666.99
    DEF 3036.04
    dimethyl isosorbide 1992.06
    tetrachloroethylene 1817.76
    eugenol 663.36
    triacetin 817.16
    span 80 798.05
    1,4-butanediol 465.55
    1,1-dichloroethane 3710.83
    2-methyl-1-pentanol 921.73
    methyl formate 3672.02
    2-methyl-1-butanol 1484.86
    n-decane 303.82
    butyronitrile 3828.37
    3,7-dimethyl-1-octanol 786.76
    1-chlorooctane 907.28
    1-chlorotetradecane 324.39
    n-nonane 334.43
    undecane 211.18
    tert-butylcyclohexane 290.62
    cyclooctane 461.7
    cyclopentanol 3180.0
    tetrahydropyran 9081.27
    tert-amyl methyl ether 1716.31
    2,5,8-trioxanonane 1335.49
    1-hexene 1505.6
    2-isopropoxyethanol 952.93
    2,2,2-trifluoroethanol 580.92
    methyl butyrate 1969.3

    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