2,6-Bis(1-methylheptadecyl)-p-cresol

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  • Identifiers

    CAS number
    5012-62-4

    Molecular formula
    C43H80O

    SMILES
    CCCCCCCCCCCCCCCCC(C)C1=CC(=CC(=C1O)C(C)CCCCCCCCCCCCCCCC)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 73.2%
    Fatty 40.55%
    Oily 35.71%
    Odorless 25.9%
    Burnt 22.14%
    Balsamic 22.0%
    Animal 20.09%
    Woody 18.24%
    Meaty 18.11%
    Savory 17.12%

     

    Flavor
    Waxy 33.87%
    Bland 30.88%
    Alkane 29.15%
    Mild 26.8%
    Delicate 21.58%
    Slightly waxy 21.41%
    Faint 20.41%
    Diterpene 19.78%
    Low 19.49%
    Oriental 19.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    20.4

    pKa est.
    8.62 (weak base)

    Molecular weight
    613.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    832°C

    Flash point

    • 251.85 ˚C est.

  • Synonyms

    • 2,6-Bis(1-methylheptadecyl)-p-cresol
    • 5012-62-4
    • EINECS 225-692-3
    • Phenol, 4-methyl-2,6-bis(1-methylheptadecyl)-
    • 47N9A1O7R4
    • EASTMAN INHIBITOR DOPC
    • p-Cresol, 2,6-bis(1-methylheptadecyl)-
    • DTXSID70863482
    • 2,6-BIS(1-METHYLHEPTADECYL)-4-METHYLPHENOL
    • 2,6-BIS(1-METHYL-1-HEPTADECYL)-4-METHYLPHENOL
    • RefChem:445193
    • DTXCID70812096
    • 225-692-3
    • 4-methyl-2,6-di(octadecan-2-yl)phenol
    • 2,6-Bis-(1-methylheptadecyl)-p-cresol
    • SCHEMBL224768
    • UNII-47N9A1O7R4
    • GXUYCJJDHBJKHA-UHFFFAOYSA-N
    • NS00045157
    • Q27259062
    • 5012-62-4

  • Applications

    2,6-Bis(1-methylheptadecyl)-p-cresol (CAS 5012-62-4) is a phenolic compound with two long alkyl chains and is used as an additive in a range of polymer and plastic systems; in practice, it may act as an antioxidant and stabilizer for plastics and rubbers, as a UV stabilizer in coatings and paints, and as an additive in lubricants to improve longevity and high-temperature stability; due to its odor profile and hydrophobic character, it may serve as a fragrance component or fixative in perfumery and cosmetics; it may also function as a chemical precursor or intermediate for the synthesis of more complex organic compounds for other industrial applications; and in coatings, inks, and plastics processing, it can be evaluated as an intermediate or processing additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 42.85
    methanol 24.62
    isopropanol 58.43
    water 0.19
    ethyl acetate 448.82
    n-propanol 79.3
    acetone 334.01
    n-butanol 89.33
    acetonitrile 58.64
    DMF 314.37
    toluene 254.66
    isobutanol 84.08
    1,4-dioxane 464.29
    methyl acetate 269.78
    THF 1312.22
    2-butanone 432.88
    n-pentanol 78.43
    sec-butanol 99.8
    n-hexane 85.78
    ethylene glycol 2.64
    NMP 898.46
    cyclohexane 270.38
    DMSO 273.12
    n-butyl acetate 503.13
    n-octanol 130.37
    chloroform 1120.34
    n-propyl acetate 402.74
    acetic acid 105.79
    dichloromethane 1067.84
    cyclohexanone 1153.58
    propylene glycol 9.35
    isopropyl acetate 458.31
    DMAc 664.34
    2-ethoxyethanol 117.04
    isopentanol 113.67
    n-heptane 95.57
    ethyl formate 162.55
    1,2-dichloroethane 717.84
    n-hexanol 80.95
    2-methoxyethanol 108.65
    isobutyl acetate 351.91
    tetrachloromethane 397.46
    n-pentyl acetate 811.36
    transcutol 594.08
    n-heptanol 125.31
    ethylbenzene 157.88
    MIBK 383.31
    2-propoxyethanol 152.18
    tert-butanol 111.42
    MTBE 367.58
    2-butoxyethanol 254.82
    propionic acid 123.23
    o-xylene 196.1
    formic acid 13.54
    diethyl ether 303.1
    m-xylene 180.09
    p-xylene 229.98
    chlorobenzene 429.94
    dimethyl carbonate 163.49
    n-octane 55.49
    formamide 31.79
    cyclopentanone 1113.97
    2-pentanone 446.81
    anisole 264.88
    cyclopentyl methyl ether 755.72
    gamma-butyrolactone 977.25
    1-methoxy-2-propanol 141.39
    pyridine 487.33
    3-pentanone 447.31
    furfural 477.88
    n-dodecane 21.74
    diethylene glycol 37.29
    diisopropyl ether 184.07
    tert-amyl alcohol 171.89
    acetylacetone 582.89
    n-hexadecane 26.9
    acetophenone 342.41
    methyl propionate 345.89
    isopentyl acetate 556.81
    trichloroethylene 1212.37
    n-nonanol 142.53
    cyclohexanol 253.19
    benzyl alcohol 121.59
    2-ethylhexanol 127.27
    isooctanol 154.61
    dipropyl ether 377.81
    1,2-dichlorobenzene 455.86
    ethyl lactate 121.05
    propylene carbonate 574.14
    n-methylformamide 91.54
    2-pentanol 100.45
    n-pentane 62.03
    1-propoxy-2-propanol 213.62
    1-methoxy-2-propyl acetate 481.12
    2-(2-methoxypropoxy) propanol 190.07
    mesitylene 142.92
    ε-caprolactone 1032.01
    p-cymene 147.29
    epichlorohydrin 953.02
    1,1,1-trichloroethane 1090.03
    2-aminoethanol 12.5
    morpholine-4-carbaldehyde 481.37
    sulfolane 1227.94
    2,2,4-trimethylpentane 61.41
    2-methyltetrahydrofuran 992.09
    n-hexyl acetate 650.76
    isooctane 33.69
    2-(2-butoxyethoxy)ethanol 256.83
    sec-butyl acetate 403.34
    tert-butyl acetate 632.86
    decalin 96.68
    glycerin 14.06
    diglyme 728.96
    acrylic acid 74.5
    isopropyl myristate 229.48
    n-butyric acid 311.06
    acetyl acetate 321.44
    di(2-ethylhexyl) phthalate 142.62
    ethyl propionate 387.62
    nitromethane 242.45
    1,2-diethoxyethane 518.5
    benzonitrile 168.65
    trioctyl phosphate 129.61
    1-bromopropane 502.57
    gamma-valerolactone 1202.84
    n-decanol 85.73
    triethyl phosphate 259.93
    4-methyl-2-pentanol 85.85
    propionitrile 102.19
    vinylene carbonate 405.58
    1,1,2-trichlorotrifluoroethane 449.57
    DMS 346.99
    cumene 117.94
    2-octanol 148.06
    2-hexanone 396.71
    octyl acetate 267.94
    limonene 267.59
    1,2-dimethoxyethane 416.57
    ethyl orthosilicate 270.72
    tributyl phosphate 161.92
    diacetone alcohol 357.29
    N,N-dimethylaniline 201.81
    acrylonitrile 82.07
    aniline 173.8
    1,3-propanediol 37.9
    bromobenzene 545.16
    dibromomethane 706.24
    1,1,2,2-tetrachloroethane 1161.52
    2-methyl-cyclohexyl acetate 417.77
    tetrabutyl urea 237.58
    diisobutyl methanol 118.7
    2-phenylethanol 125.31
    styrene 178.63
    dioctyl adipate 328.92
    dimethyl sulfate 339.07
    ethyl butyrate 514.08
    methyl lactate 103.65
    butyl lactate 361.87
    diethyl carbonate 275.34
    propanediol butyl ether 145.92
    triethyl orthoformate 441.06
    p-tert-butyltoluene 149.31
    methyl 4-tert-butylbenzoate 457.61
    morpholine 507.81
    tert-butylamine 92.15
    n-dodecanol 58.52
    dimethoxymethane 310.09
    ethylene carbonate 430.68
    cyrene 222.22
    2-ethoxyethyl acetate 696.53
    2-ethylhexyl acetate 514.16
    1,2,4-trichlorobenzene 563.55
    4-methylpyridine 485.99
    dibutyl ether 407.54
    2,6-dimethyl-4-heptanol 118.7
    DEF 485.31
    dimethyl isosorbide 563.32
    tetrachloroethylene 750.01
    eugenol 260.49
    triacetin 556.34
    span 80 214.58
    1,4-butanediol 17.1
    1,1-dichloroethane 653.54
    2-methyl-1-pentanol 107.62
    methyl formate 91.91
    2-methyl-1-butanol 114.82
    n-decane 56.84
    butyronitrile 135.77
    3,7-dimethyl-1-octanol 142.3
    1-chlorooctane 210.14
    1-chlorotetradecane 61.73
    n-nonane 56.91
    undecane 31.74
    tert-butylcyclohexane 74.79
    cyclooctane 102.3
    cyclopentanol 244.84
    tetrahydropyran 833.37
    tert-amyl methyl ether 362.21
    2,5,8-trioxanonane 342.66
    1-hexene 151.82
    2-isopropoxyethanol 131.09
    2,2,2-trifluoroethanol 72.95
    methyl butyrate 494.52

    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