4,6-Diisopropyl-m-cresol

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  • Identifiers

    CAS number
    40625-96-5

    Molecular formula
    C13H20O

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 75.82%
    Spicy 69.13%
    Woody 55.99%
    Medicinal 53.93%
    Smoky 53.5%
    Herbal 49.64%
    Leathery 48.81%
    Burnt 42.53%
    Camphoreous 36.37%
    Dry 31.06%

     

    Flavor
    Woody 42.5%
    Phenolic 40.07%
    Camphor 39.25%
    Medicinal 37.8%
    Herbal 36.41%
    Spice 35.95%
    Spicy 27.22%
    Musty 25.84%
    Creosote 24.69%
    Thymol 24.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    10.47 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    271°C

    Flash point

    • 122.33 ˚C est.

  • Synonyms

    • 2,4-Diisopropyl-5-methylphenol
    • 40625-96-5
    • 4,6-Diisopropyl-m-cresol
    • 5-Methyl-2,4-diisopropylphenol
    • 5-methyl-2,4-di(propan-2-yl)phenol
    • Phenol, 5-methyl-2,4-bis(1-methylethyl)-
    • m-Cresol, 4,6-diisopropyl-
    • 319EQ0TMXT
    • 5-methyl-2,4-bis(propan-2-yl)phenol
    • DTXSID00335905
    • RefChem:508092
    • DTXCID10286994
    • Phenol, 5-methyl-2,4-diisopropyl
    • UNII-319EQ0TMXT
    • 2,4,5-Trimethyl-Phenol
    • orb1986710
    • SCHEMBL1245089
    • SCHEMBL30411784
    • CHEBI:169631
    • 2,4-Diisopropyl-5-methylphenol #
    • QBA62596
    • AKOS023093774
    • 2,4-bis(1-methylethyl)-5-methylphenol
    • 5-Methyl-2,4-bis(1-methylethyl)phenol, 9CI
    • Q27256033
    • 40625-96-5

  • Applications

    4,6-Diisopropyl-m-cresol (CAS 40625-96-5) is primarily used as an antioxidant/stabilizer of the hindered-phenol type for polymers and rubber, protecting products from oxidation during processing and use, and is commonly incorporated into polymer systems such as polyolefins, PVC, and synthetic rubber. It also serves as an intermediate in the synthesis of other stabilizers and antioxidant additives for plastics, coatings, and inks. Additionally, it may be evaluated for fragrance applications in perfumery as an odorant or fixative, and can function as a specialty additive in coating formulations to improve oxidative stability. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2561.78
    methanol 1899.44
    isopropanol 2111.19
    water 0.15
    ethyl acetate 1719.49
    n-propanol 2055.93
    acetone 3383.7
    n-butanol 1755.76
    acetonitrile 3139.66
    DMF 3036.4
    toluene 996.64
    isobutanol 1327.36
    1,4-dioxane 4622.5
    methyl acetate 1690.42
    THF 8609.91
    2-butanone 2334.18
    n-pentanol 1034.07
    sec-butanol 1368.69
    n-hexane 555.28
    ethylene glycol 69.31
    NMP 1584.89
    cyclohexane 762.23
    DMSO 1389.5
    n-butyl acetate 1927.0
    n-octanol 549.44
    chloroform 3690.04
    n-propyl acetate 956.92
    acetic acid 700.52
    dichloromethane 4072.11
    cyclohexanone 3080.16
    propylene glycol 177.71
    isopropyl acetate 852.4
    DMAc 977.54
    2-ethoxyethanol 700.99
    isopentanol 1133.27
    n-heptane 449.02
    ethyl formate 1336.89
    1,2-dichloroethane 2522.73
    n-hexanol 1894.11
    2-methoxyethanol 1386.04
    isobutyl acetate 594.42
    tetrachloromethane 679.52
    n-pentyl acetate 745.59
    transcutol 1181.06
    n-heptanol 586.52
    ethylbenzene 447.21
    MIBK 799.12
    2-propoxyethanol 1657.62
    tert-butanol 1719.55
    MTBE 1854.26
    2-butoxyethanol 647.26
    propionic acid 666.5
    o-xylene 384.66
    formic acid 101.27
    diethyl ether 3038.64
    m-xylene 573.32
    p-xylene 594.72
    chlorobenzene 1083.09
    dimethyl carbonate 345.23
    n-octane 146.39
    formamide 299.7
    cyclopentanone 3921.72
    2-pentanone 1981.82
    anisole 676.76
    cyclopentyl methyl ether 2402.2
    gamma-butyrolactone 3371.83
    1-methoxy-2-propanol 1125.85
    pyridine 2699.32
    3-pentanone 1142.29
    furfural 1395.4
    n-dodecane 89.55
    diethylene glycol 468.04
    diisopropyl ether 556.07
    tert-amyl alcohol 1036.53
    acetylacetone 1143.66
    n-hexadecane 106.91
    acetophenone 479.48
    methyl propionate 1116.5
    isopentyl acetate 1203.88
    trichloroethylene 3262.67
    n-nonanol 456.93
    cyclohexanol 1339.76
    benzyl alcohol 462.71
    2-ethylhexanol 849.14
    isooctanol 413.48
    dipropyl ether 1680.06
    1,2-dichlorobenzene 657.87
    ethyl lactate 228.05
    propylene carbonate 1272.68
    n-methylformamide 1499.79
    2-pentanol 1061.84
    n-pentane 483.92
    1-propoxy-2-propanol 1180.74
    1-methoxy-2-propyl acetate 881.96
    2-(2-methoxypropoxy) propanol 343.64
    mesitylene 314.46
    ε-caprolactone 1793.33
    p-cymene 334.93
    epichlorohydrin 3458.94
    1,1,1-trichloroethane 2056.26
    2-aminoethanol 288.88
    morpholine-4-carbaldehyde 1590.18
    sulfolane 1796.59
    2,2,4-trimethylpentane 111.51
    2-methyltetrahydrofuran 4620.4
    n-hexyl acetate 993.63
    isooctane 116.51
    2-(2-butoxyethoxy)ethanol 556.04
    sec-butyl acetate 474.13
    tert-butyl acetate 764.62
    decalin 191.47
    glycerin 140.02
    diglyme 1147.78
    acrylic acid 384.91
    isopropyl myristate 336.6
    n-butyric acid 1347.26
    acetyl acetate 573.33
    di(2-ethylhexyl) phthalate 235.28
    ethyl propionate 654.0
    nitromethane 1727.06
    1,2-diethoxyethane 1141.15
    benzonitrile 844.56
    trioctyl phosphate 218.55
    1-bromopropane 2028.26
    gamma-valerolactone 3317.4
    n-decanol 337.59
    triethyl phosphate 231.03
    4-methyl-2-pentanol 425.67
    propionitrile 2024.63
    vinylene carbonate 983.9
    1,1,2-trichlorotrifluoroethane 784.47
    DMS 428.69
    cumene 270.39
    2-octanol 417.3
    2-hexanone 1115.99
    octyl acetate 451.43
    limonene 565.58
    1,2-dimethoxyethane 2071.12
    ethyl orthosilicate 252.17
    tributyl phosphate 234.57
    diacetone alcohol 665.92
    N,N-dimethylaniline 395.22
    acrylonitrile 1670.68
    aniline 800.58
    1,3-propanediol 646.93
    bromobenzene 1146.25
    dibromomethane 2843.33
    1,1,2,2-tetrachloroethane 2107.45
    2-methyl-cyclohexyl acetate 544.55
    tetrabutyl urea 311.76
    diisobutyl methanol 376.07
    2-phenylethanol 664.9
    styrene 543.9
    dioctyl adipate 381.58
    dimethyl sulfate 355.41
    ethyl butyrate 858.13
    methyl lactate 246.86
    butyl lactate 371.86
    diethyl carbonate 432.75
    propanediol butyl ether 454.68
    triethyl orthoformate 495.9
    p-tert-butyltoluene 347.64
    methyl 4-tert-butylbenzoate 410.18
    morpholine 5138.79
    tert-butylamine 1167.71
    n-dodecanol 254.14
    dimethoxymethane 2157.76
    ethylene carbonate 974.44
    cyrene 370.53
    2-ethoxyethyl acetate 711.75
    2-ethylhexyl acetate 968.17
    1,2,4-trichlorobenzene 668.59
    4-methylpyridine 2425.76
    dibutyl ether 864.07
    2,6-dimethyl-4-heptanol 376.07
    DEF 1387.87
    dimethyl isosorbide 769.64
    tetrachloroethylene 1297.43
    eugenol 335.96
    triacetin 401.15
    span 80 427.48
    1,4-butanediol 201.09
    1,1-dichloroethane 2625.98
    2-methyl-1-pentanol 693.7
    methyl formate 1130.97
    2-methyl-1-butanol 1018.3
    n-decane 170.77
    butyronitrile 2520.59
    3,7-dimethyl-1-octanol 429.08
    1-chlorooctane 510.67
    1-chlorotetradecane 190.47
    n-nonane 179.32
    undecane 121.41
    tert-butylcyclohexane 177.03
    cyclooctane 213.95
    cyclopentanol 1688.87
    tetrahydropyran 5986.12
    tert-amyl methyl ether 880.97
    2,5,8-trioxanonane 593.17
    1-hexene 1298.63
    2-isopropoxyethanol 519.69
    2,2,2-trifluoroethanol 151.65
    methyl butyrate 992.28

    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