5-Methyl-2,3-diisopropylphenol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    76138-68-6

    Molecular formula
    C13H20O

    SMILES
    CC1=CC(=C(C(=C1)O)C(C)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 68.26%
    Spicy 64.79%
    Woody 60.12%
    Leathery 50.77%
    Medicinal 46.57%
    Herbal 46.43%
    Smoky 45.8%
    Burnt 39.06%
    Dry 37.23%
    Camphoreous 34.68%

     

    Flavor
    Woody 41.27%
    Camphor 38.74%
    Phenolic 38.49%
    Spice 33.58%
    Medicinal 32.46%
    Herbal 31.39%
    Musty 27.34%
    Mild 24.55%
    Creosote 24.2%
    Thymol 24.01%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    10.39 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    266°C

    Flash point

    • 125.05 ˚C est.

  • Synonyms

    • 5-Methyl-2,3-diisopropylphenol
    • 2,3-diisopropyl-5-methylphenol
    • Phenol, 5-methyl-2,3-bis(1-methylethyl)-
    • UNII-3783R4H669
    • 76138-68-6
    • 3783R4H669
    • 5-methyl-2,3-bis(propan-2-yl)phenol
    • 5,6-Diisopropyl-m-cresol
    • SCHEMBL1487428
    • DTXSID301286531
    • 5-methyl-2,3-di(propan-2-yl)phenol
    • 5-Methyl-2,3-bis(1-methylethyl)phenol
    • 5-Methyl-2,3-bis(1-methylethyl)phenol, 9CI
    • Q27256653
    • 76138-68-6

  • Applications

    5-Methyl-2,3-diisopropylphenol (CAS 76138-68-6) is primarily used as a hindered phenolic antioxidant stabilizer for polymers and rubbers, helping retard oxidative degradation during processing and end use, including polyolefins, engineering plastics, and natural or synthetic rubber. It is also employed as an antioxidant additive in lubricants and mineral oils to prevent gum formation and viscosity changes. In coatings and inks, it acts as a stabilizer to extend color retention and weathering resistance. It can serve as a processing aid in plastics, improving heat stability during extrusion and molding. In cosmetics/personal care, it may be evaluated as an antioxidant stabilizer in formulations under appropriate regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1530.68
    methanol 1125.55
    isopropanol 1697.25
    water 0.59
    ethyl acetate 1578.97
    n-propanol 1487.58
    acetone 3244.26
    n-butanol 1468.35
    acetonitrile 2087.44
    DMF 3237.18
    toluene 1286.58
    isobutanol 1244.89
    1,4-dioxane 4112.59
    methyl acetate 1516.71
    THF 8246.64
    2-butanone 2123.32
    n-pentanol 1003.77
    sec-butanol 1307.43
    n-hexane 783.48
    ethylene glycol 208.96
    NMP 2072.24
    cyclohexane 1035.93
    DMSO 1956.68
    n-butyl acetate 1682.0
    n-octanol 906.07
    chloroform 4229.11
    n-propyl acetate 990.64
    acetic acid 616.8
    dichloromethane 3951.05
    cyclohexanone 3512.61
    propylene glycol 349.48
    isopropyl acetate 1022.3
    DMAc 1342.22
    2-ethoxyethanol 811.08
    isopentanol 1099.23
    n-heptane 607.93
    ethyl formate 1204.06
    1,2-dichloroethane 2978.84
    n-hexanol 1911.49
    2-methoxyethanol 1461.72
    isobutyl acetate 749.93
    tetrachloromethane 821.05
    n-pentyl acetate 948.12
    transcutol 879.82
    n-heptanol 838.4
    ethylbenzene 748.6
    MIBK 1153.83
    2-propoxyethanol 1779.66
    tert-butanol 1745.65
    MTBE 1989.92
    2-butoxyethanol 841.71
    propionic acid 736.91
    o-xylene 687.23
    formic acid 114.57
    diethyl ether 2641.36
    m-xylene 937.96
    p-xylene 836.86
    chlorobenzene 1382.23
    dimethyl carbonate 534.04
    n-octane 296.36
    formamide 224.79
    cyclopentanone 4739.57
    2-pentanone 2113.54
    anisole 949.91
    cyclopentyl methyl ether 2951.6
    gamma-butyrolactone 3662.47
    1-methoxy-2-propanol 1322.15
    pyridine 2300.68
    3-pentanone 1402.75
    furfural 1682.63
    n-dodecane 208.9
    diethylene glycol 735.57
    diisopropyl ether 789.82
    tert-amyl alcohol 1199.94
    acetylacetone 1526.89
    n-hexadecane 244.74
    acetophenone 714.03
    methyl propionate 1304.52
    isopentyl acetate 1338.13
    trichloroethylene 3896.46
    n-nonanol 736.09
    cyclohexanol 1670.91
    benzyl alcohol 629.81
    2-ethylhexanol 1032.81
    isooctanol 654.19
    dipropyl ether 1530.42
    1,2-dichlorobenzene 1006.2
    ethyl lactate 380.7
    propylene carbonate 1603.13
    n-methylformamide 1270.36
    2-pentanol 1167.67
    n-pentane 677.79
    1-propoxy-2-propanol 1282.74
    1-methoxy-2-propyl acetate 1055.74
    2-(2-methoxypropoxy) propanol 439.55
    mesitylene 650.68
    ε-caprolactone 2104.83
    p-cymene 540.19
    epichlorohydrin 3789.58
    1,1,1-trichloroethane 2463.86
    2-aminoethanol 410.05
    morpholine-4-carbaldehyde 1941.96
    sulfolane 3132.22
    2,2,4-trimethylpentane 218.41
    2-methyltetrahydrofuran 4141.02
    n-hexyl acetate 1400.3
    isooctane 229.47
    2-(2-butoxyethoxy)ethanol 697.68
    sec-butyl acetate 633.91
    tert-butyl acetate 1081.03
    decalin 374.07
    glycerin 305.35
    diglyme 1337.05
    acrylic acid 498.26
    isopropyl myristate 544.16
    n-butyric acid 1189.29
    acetyl acetate 672.27
    di(2-ethylhexyl) phthalate 319.54
    ethyl propionate 831.24
    nitromethane 1480.16
    1,2-diethoxyethane 1086.93
    benzonitrile 961.73
    trioctyl phosphate 368.77
    1-bromopropane 2344.23
    gamma-valerolactone 3504.42
    n-decanol 569.67
    triethyl phosphate 337.07
    4-methyl-2-pentanol 624.88
    propionitrile 1790.48
    vinylene carbonate 1223.95
    1,1,2-trichlorotrifluoroethane 1055.81
    DMS 696.53
    cumene 520.23
    2-octanol 720.73
    2-hexanone 1226.74
    octyl acetate 746.84
    limonene 855.71
    1,2-dimethoxyethane 2079.09
    ethyl orthosilicate 332.81
    tributyl phosphate 334.38
    diacetone alcohol 984.52
    N,N-dimethylaniline 657.53
    acrylonitrile 1591.37
    aniline 869.03
    1,3-propanediol 726.87
    bromobenzene 1594.63
    dibromomethane 3146.01
    1,1,2,2-tetrachloroethane 2922.58
    2-methyl-cyclohexyl acetate 709.38
    tetrabutyl urea 499.57
    diisobutyl methanol 535.13
    2-phenylethanol 892.27
    styrene 813.09
    dioctyl adipate 552.9
    dimethyl sulfate 731.1
    ethyl butyrate 872.06
    methyl lactate 455.96
    butyl lactate 517.51
    diethyl carbonate 493.07
    propanediol butyl ether 627.32
    triethyl orthoformate 580.98
    p-tert-butyltoluene 571.24
    methyl 4-tert-butylbenzoate 680.91
    morpholine 3937.73
    tert-butylamine 1234.6
    n-dodecanol 457.1
    dimethoxymethane 2278.54
    ethylene carbonate 1203.0
    cyrene 504.95
    2-ethoxyethyl acetate 778.79
    2-ethylhexyl acetate 1073.76
    1,2,4-trichlorobenzene 968.23
    4-methylpyridine 2110.61
    dibutyl ether 1086.45
    2,6-dimethyl-4-heptanol 535.13
    DEF 1633.2
    dimethyl isosorbide 1039.43
    tetrachloroethylene 1753.49
    eugenol 516.94
    triacetin 548.78
    span 80 563.97
    1,4-butanediol 344.41
    1,1-dichloroethane 2899.76
    2-methyl-1-pentanol 777.48
    methyl formate 1152.14
    2-methyl-1-butanol 1024.61
    n-decane 350.01
    butyronitrile 2134.92
    3,7-dimethyl-1-octanol 662.7
    1-chlorooctane 936.33
    1-chlorotetradecane 379.23
    n-nonane 380.21
    undecane 264.87
    tert-butylcyclohexane 359.94
    cyclooctane 450.46
    cyclopentanol 1948.77
    tetrahydropyran 4833.68
    tert-amyl methyl ether 1225.94
    2,5,8-trioxanonane 742.65
    1-hexene 1514.31
    2-isopropoxyethanol 666.72
    2,2,2-trifluoroethanol 201.76
    methyl butyrate 1157.24

    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