Diisopropyl-m-cresol

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  • Identifiers

    CAS number
    76138-69-7

    Molecular formula
    C13H20O

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 75.05%
    Spicy 66.87%
    Woody 54.56%
    Smoky 53.33%
    Medicinal 52.72%
    Leathery 49.7%
    Herbal 45.41%
    Burnt 41.85%
    Camphoreous 34.43%
    Dry 32.02%

     

    Flavor
    Phenolic 40.03%
    Camphor 38.41%
    Woody 36.82%
    Medicinal 35.92%
    Spice 32.99%
    Herbal 31.97%
    Musty 25.91%
    Creosote 24.46%
    Spicy 24.15%
    Mild 24.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    10.45 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    275°C

    Flash point

    • 126.96 ˚C est.

  • Synonyms

    • Diisopropyl-m-cresol
    • 76138-69-7
    • 2,4-diisopropyl-3-methylphenol
    • 2,4-Diisopropyl-m-cresol
    • m-Cresol, 2,4-diisopropyl-
    • Phenol, 3-methyl-2,4-bis(1-methylethyl)-
    • 3-methyl-2,4-di(propan-2-yl)phenol
    • 31291-59-5
    • 5Y3P3E682S
    • Phenol, 3-methylbis(1-methylethyl)-
    • UNII-5Y3P3E682S
    • EINECS 250-549-7
    • Diisopropyl-m-kresol
    • 3-methyl-2,4-bis(propan-2-yl)phenol
    • diisopropyl-3-methylphenol
    • UNII-3QL127V7I8
    • orb1985678
    • SCHEMBL1487374
    • SCHEMBL31438162
    • DTXSID70891386
    • NAOSNNNYJHAZGY-UHFFFAOYSA-N
    • 3QL127V7I8
    • AKOS040752956
    • 3-METHYL-2,4-DIISOPROPYLPHENOL
    • 3-Methyl-2,4-bis(1-methylethyl)phenol
    • NS00049997
    • 3-Methyl-2,4-bis(1-methylethyl)phenol, 9CI
    • Q27263028
    • 76138-69-7

  • Applications

    Diisopropyl-m-cresol (CAS number: 76138-69-7) is a hindered phenolic compound used as an antioxidant and stabilizer in a range of industrial formulations. In polymers and plastics, it acts as a radical scavenger to slow thermo-oxidative degradation, helping to extend processing life and product performance; in rubbers and elastomers, it provides long-term thermal stability. It is also employed as a processing and storage stabilizer in lubricants and fuels to inhibit oxidation and sediment formation. As a chemical intermediate, it serves as a building block for specialty chemicals used in fragrance components, dyes, or agrochemical intermediates. In coatings and inks, it can function as a stabilizer and processing aid to improve storage stability and durability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5280.37
    methanol 4776.65
    isopropanol 3563.6
    water 0.37
    ethyl acetate 3257.94
    n-propanol 3897.47
    acetone 6539.28
    n-butanol 2981.18
    acetonitrile 6660.85
    DMF 6174.86
    toluene 1900.79
    isobutanol 2236.65
    1,4-dioxane 9373.03
    methyl acetate 3354.87
    THF 17030.7
    2-butanone 4143.23
    n-pentanol 1621.11
    sec-butanol 2117.21
    n-hexane 888.79
    ethylene glycol 177.93
    NMP 3036.72
    cyclohexane 1407.04
    DMSO 2884.25
    n-butyl acetate 3284.65
    n-octanol 825.39
    chloroform 6801.93
    n-propyl acetate 1686.45
    acetic acid 1350.59
    dichloromethane 8022.18
    cyclohexanone 5546.16
    propylene glycol 292.11
    isopropyl acetate 1485.99
    DMAc 1580.45
    2-ethoxyethanol 1319.42
    isopentanol 1697.35
    n-heptane 709.43
    ethyl formate 2552.06
    1,2-dichloroethane 5547.08
    n-hexanol 2934.31
    2-methoxyethanol 2912.47
    isobutyl acetate 949.43
    tetrachloromethane 1343.96
    n-pentyl acetate 1221.02
    transcutol 1678.68
    n-heptanol 875.85
    ethylbenzene 682.47
    MIBK 1310.51
    2-propoxyethanol 2997.76
    tert-butanol 2692.56
    MTBE 3089.2
    2-butoxyethanol 967.56
    propionic acid 1265.62
    o-xylene 628.38
    formic acid 260.99
    diethyl ether 6512.87
    m-xylene 975.23
    p-xylene 866.09
    chlorobenzene 2051.68
    dimethyl carbonate 691.56
    n-octane 231.3
    formamide 735.37
    cyclopentanone 7413.2
    2-pentanone 3580.33
    anisole 1127.91
    cyclopentyl methyl ether 4927.03
    gamma-butyrolactone 6794.83
    1-methoxy-2-propanol 1932.3
    pyridine 5028.78
    3-pentanone 2136.46
    furfural 2523.98
    n-dodecane 129.68
    diethylene glycol 878.91
    diisopropyl ether 1001.87
    tert-amyl alcohol 1528.01
    acetylacetone 2063.84
    n-hexadecane 156.26
    acetophenone 722.87
    methyl propionate 2241.36
    isopentyl acetate 1946.49
    trichloroethylene 6358.37
    n-nonanol 667.37
    cyclohexanol 2404.25
    benzyl alcohol 707.11
    2-ethylhexanol 1222.3
    isooctanol 595.17
    dipropyl ether 2736.62
    1,2-dichlorobenzene 1206.53
    ethyl lactate 333.71
    propylene carbonate 2256.62
    n-methylformamide 3600.83
    2-pentanol 1657.56
    n-pentane 854.59
    1-propoxy-2-propanol 1830.01
    1-methoxy-2-propyl acetate 1417.88
    2-(2-methoxypropoxy) propanol 423.61
    mesitylene 531.93
    ε-caprolactone 3244.67
    p-cymene 478.87
    epichlorohydrin 7233.11
    1,1,1-trichloroethane 3789.09
    2-aminoethanol 628.72
    morpholine-4-carbaldehyde 2917.63
    sulfolane 3477.77
    2,2,4-trimethylpentane 169.24
    2-methyltetrahydrofuran 8949.56
    n-hexyl acetate 1593.39
    isooctane 182.22
    2-(2-butoxyethoxy)ethanol 743.19
    sec-butyl acetate 751.06
    tert-butyl acetate 1293.55
    decalin 292.81
    glycerin 228.39
    diglyme 1738.63
    acrylic acid 761.53
    isopropyl myristate 491.63
    n-butyric acid 2319.95
    acetyl acetate 1090.83
    di(2-ethylhexyl) phthalate 296.02
    ethyl propionate 1138.83
    nitromethane 3787.27
    1,2-diethoxyethane 1928.0
    benzonitrile 1437.66
    trioctyl phosphate 307.03
    1-bromopropane 3886.71
    gamma-valerolactone 6239.2
    n-decanol 468.9
    triethyl phosphate 321.32
    4-methyl-2-pentanol 639.07
    propionitrile 4008.39
    vinylene carbonate 1813.51
    1,1,2-trichlorotrifluoroethane 1303.38
    DMS 749.19
    cumene 401.11
    2-octanol 625.12
    2-hexanone 1840.78
    octyl acetate 668.63
    limonene 866.13
    1,2-dimethoxyethane 3543.65
    ethyl orthosilicate 359.22
    tributyl phosphate 340.15
    diacetone alcohol 1012.64
    N,N-dimethylaniline 593.84
    acrylonitrile 3503.82
    aniline 1408.71
    1,3-propanediol 1249.86
    bromobenzene 2173.34
    dibromomethane 5520.29
    1,1,2,2-tetrachloroethane 3832.15
    2-methyl-cyclohexyl acetate 748.0
    tetrabutyl urea 440.7
    diisobutyl methanol 520.36
    2-phenylethanol 1005.85
    styrene 888.44
    dioctyl adipate 499.86
    dimethyl sulfate 701.5
    ethyl butyrate 1306.23
    methyl lactate 408.82
    butyl lactate 536.61
    diethyl carbonate 639.12
    propanediol butyl ether 593.71
    triethyl orthoformate 740.56
    p-tert-butyltoluene 482.46
    methyl 4-tert-butylbenzoate 570.32
    morpholine 10298.82
    tert-butylamine 1936.67
    n-dodecanol 345.61
    dimethoxymethane 4609.89
    ethylene carbonate 1885.73
    cyrene 470.55
    2-ethoxyethyl acetate 1208.48
    2-ethylhexyl acetate 1514.56
    1,2,4-trichlorobenzene 1131.3
    4-methylpyridine 4368.99
    dibutyl ether 1324.61
    2,6-dimethyl-4-heptanol 520.36
    DEF 2631.89
    dimethyl isosorbide 1105.02
    tetrachloroethylene 2635.6
    eugenol 445.57
    triacetin 553.71
    span 80 536.94
    1,4-butanediol 364.05
    1,1-dichloroethane 5045.38
    2-methyl-1-pentanol 1017.58
    methyl formate 2716.65
    2-methyl-1-butanol 1549.57
    n-decane 256.01
    butyronitrile 4462.09
    3,7-dimethyl-1-octanol 608.19
    1-chlorooctane 788.49
    1-chlorotetradecane 274.22
    n-nonane 279.58
    undecane 177.65
    tert-butylcyclohexane 262.02
    cyclooctane 382.91
    cyclopentanol 3147.84
    tetrahydropyran 11526.83
    tert-amyl methyl ether 1514.62
    2,5,8-trioxanonane 810.99
    1-hexene 2040.55
    2-isopropoxyethanol 841.95
    2,2,2-trifluoroethanol 323.42
    methyl butyrate 1683.5

    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