Palmityl 3,5-di-tert-butyl-4-hydroxybenzoate

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  • Identifiers

    CAS number
    67845-93-6

    Molecular formula
    C31H54O3

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

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Waxy 52.24%
    Floral 50.13%
    Woody 45.28%
    Balsamic 40.93%
    Oily 32.06%
    Fatty 31.74%
    Sweet 29.76%
    Fruity 29.33%
    Amber 28.59%
    Dry 27.57%

     

    Flavor
    Mild 33.95%
    Woody 29.22%
    Bland 28.33%
    Herbal 22.83%
    Balsam 22.0%
    Oily 21.4%
    Delicate 21.18%
    Parsley 20.57%
    Slightly waxy 20.46%
    Thymol 20.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.5

    pKa est.
    4.12 (weak acid)

    Molecular weight
    474.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    587°C

    Flash point

    • 173.36 ˚C est.

  • Synonyms

    • 67845-93-6
    • hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate
    • Hexadecyl 3,5-bis-tert-butyl-4-hydroxybenzoate
    • Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, hexadecyl ester
    • Palmityl 3,5-di-tert-butyl-4-hydroxybenzoate
    • EINECS 267-342-2
    • S43L542RUG
    • 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzoic acid, hexadecyl ester
    • CYAGARD UV 2908
    • CYASORB UV 2908
    • DTXSID0052382
    • EC 267-342-2
    • UV 2908
    • CETYL 3,5-DI-TERT-BUTYL-4-HYDROXYBENZOATE
    • 267-342-2
    • RefChem:858437
    • DTXCID0030954
    • 3,5-Di-tert-butyl-4-hydroxybenzoic acid hexadecyl ester
    • MFCD00180757
    • hexadecyl 3,5-ditert-butyl-4-hydroxybenzoate
    • C31H54O3
    • 3,5-ditert-butyl-4-hydroxybenzoic acid hexadecyl ester
    • 4-(2-acryloxyethoxy)-2-hydroxybenzophenone
    • UV Absorber 2908
    • UNII-S43L542RUG
    • hexadecyl 3,5-ditert-butyl-4-hydroxy-benzoate
    • SCHEMBL78664
    • NZYMWGXNIUZYRC-UHFFFAOYSA-N
    • AKOS015888118
    • cetyl-3,5-di-t-butyl-4-hydroxybenzoate
    • AS-10043
    • SY011681
    • DB-055070
    • CS-0152192
    • H1709
    • NS00004055
    • 845D936
    • F692677
    • Q27288558
    • 3,5-Di-tert-butyl-4-hydroxybenzoic acid-hexadecyl ester
    • 3,5-di-tert-butyl-4-hydroxybenzoic acid, hexadecyl ester
    • 67845-93-6

  • Applications

    Palmityl 3,5-di-tert-butyl-4-hydroxybenzoate is primarily used as a lipophilic antioxidant and stabilizer for fats, oils, and oil-based formulations. It acts as a heat- and light-stabilizing additive in polymers and plastics (such as polyolefins and polyesters), as well as in coatings, inks, and adhesives to curb oxidative degradation and color changes. It is also employed as an antioxidant additive in lubricants and industrial oils, and in cosmetics/personal care products to improve the oxidative stability of oil-based ingredients. Additionally, it may be used as an intermediate in the synthesis of other hindered phenol antioxidants.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 186.14
    methanol 125.64
    isopropanol 168.57
    water 0.76
    ethyl acetate 671.18
    n-propanol 245.02
    acetone 581.61
    n-butanol 216.61
    acetonitrile 175.8
    DMF 957.66
    toluene 511.53
    isobutanol 240.4
    1,4-dioxane 620.55
    methyl acetate 513.48
    THF 1777.74
    2-butanone 702.35
    n-pentanol 209.76
    sec-butanol 275.98
    n-hexane 79.78
    ethylene glycol 15.81
    NMP 2363.27
    cyclohexane 168.5
    DMSO 520.69
    n-butyl acetate 644.69
    n-octanol 201.19
    chloroform 1677.94
    n-propyl acetate 590.44
    acetic acid 371.15
    dichloromethane 1689.11
    cyclohexanone 1617.83
    propylene glycol 54.37
    isopropyl acetate 574.24
    DMAc 1425.01
    2-ethoxyethanol 293.65
    isopentanol 231.19
    n-heptane 66.63
    ethyl formate 316.7
    1,2-dichloroethane 1052.47
    n-hexanol 191.59
    2-methoxyethanol 324.73
    isobutyl acetate 474.03
    tetrachloromethane 345.38
    n-pentyl acetate 955.36
    transcutol 962.45
    n-heptanol 243.23
    ethylbenzene 271.99
    MIBK 480.65
    2-propoxyethanol 351.36
    tert-butanol 233.59
    MTBE 392.3
    2-butoxyethanol 478.21
    propionic acid 405.9
    o-xylene 344.56
    formic acid 82.82
    diethyl ether 357.32
    m-xylene 336.64
    p-xylene 413.35
    chlorobenzene 728.8
    dimethyl carbonate 340.7
    n-octane 36.49
    formamide 167.65
    cyclopentanone 1864.17
    2-pentanone 675.49
    anisole 395.25
    cyclopentyl methyl ether 1077.99
    gamma-butyrolactone 2043.84
    1-methoxy-2-propanol 370.43
    pyridine 955.76
    3-pentanone 644.09
    furfural 1164.36
    n-dodecane 16.48
    diethylene glycol 121.44
    diisopropyl ether 164.4
    tert-amyl alcohol 339.7
    acetylacetone 871.29
    n-hexadecane 20.2
    acetophenone 571.49
    methyl propionate 698.31
    isopentyl acetate 633.76
    trichloroethylene 2095.83
    n-nonanol 204.83
    cyclohexanol 452.06
    benzyl alcohol 299.86
    2-ethylhexanol 211.67
    isooctanol 251.72
    dipropyl ether 359.34
    1,2-dichlorobenzene 719.5
    ethyl lactate 250.32
    propylene carbonate 1149.94
    n-methylformamide 373.91
    2-pentanol 206.86
    n-pentane 60.59
    1-propoxy-2-propanol 394.37
    1-methoxy-2-propyl acetate 672.03
    2-(2-methoxypropoxy) propanol 335.27
    mesitylene 212.71
    ε-caprolactone 1559.51
    p-cymene 193.73
    epichlorohydrin 1744.84
    1,1,1-trichloroethane 1177.84
    2-aminoethanol 69.22
    morpholine-4-carbaldehyde 1281.09
    sulfolane 2377.41
    2,2,4-trimethylpentane 51.86
    2-methyltetrahydrofuran 1266.54
    n-hexyl acetate 840.87
    isooctane 27.43
    2-(2-butoxyethoxy)ethanol 429.3
    sec-butyl acetate 483.96
    tert-butyl acetate 693.72
    decalin 87.39
    glycerin 77.3
    diglyme 927.32
    acrylic acid 321.24
    isopropyl myristate 250.69
    n-butyric acid 639.36
    acetyl acetate 447.15
    di(2-ethylhexyl) phthalate 236.4
    ethyl propionate 528.35
    nitromethane 707.97
    1,2-diethoxyethane 501.4
    benzonitrile 389.16
    trioctyl phosphate 188.74
    1-bromopropane 599.95
    gamma-valerolactone 2194.16
    n-decanol 124.77
    triethyl phosphate 275.67
    4-methyl-2-pentanol 147.72
    propionitrile 236.3
    vinylene carbonate 923.56
    1,1,2-trichlorotrifluoroethane 945.42
    DMS 551.75
    cumene 194.31
    2-octanol 210.34
    2-hexanone 545.29
    octyl acetate 338.76
    limonene 325.91
    1,2-dimethoxyethane 531.0
    ethyl orthosilicate 279.66
    tributyl phosphate 215.01
    diacetone alcohol 556.54
    N,N-dimethylaniline 339.71
    acrylonitrile 253.35
    aniline 405.78
    1,3-propanediol 130.11
    bromobenzene 847.78
    dibromomethane 1045.03
    1,1,2,2-tetrachloroethane 1762.51
    2-methyl-cyclohexyl acetate 517.25
    tetrabutyl urea 327.48
    diisobutyl methanol 131.55
    2-phenylethanol 279.6
    styrene 299.75
    dioctyl adipate 376.72
    dimethyl sulfate 659.15
    ethyl butyrate 527.66
    methyl lactate 286.23
    butyl lactate 558.41
    diethyl carbonate 309.57
    propanediol butyl ether 342.05
    triethyl orthoformate 425.22
    p-tert-butyltoluene 192.45
    methyl 4-tert-butylbenzoate 692.51
    morpholine 875.94
    tert-butylamine 159.65
    n-dodecanol 83.82
    dimethoxymethane 587.24
    ethylene carbonate 810.18
    cyrene 471.45
    2-ethoxyethyl acetate 899.76
    2-ethylhexyl acetate 589.46
    1,2,4-trichlorobenzene 955.53
    4-methylpyridine 968.38
    dibutyl ether 316.91
    2,6-dimethyl-4-heptanol 131.55
    DEF 865.58
    dimethyl isosorbide 878.05
    tetrachloroethylene 1062.9
    eugenol 452.25
    triacetin 796.35
    span 80 392.58
    1,4-butanediol 66.34
    1,1-dichloroethane 908.23
    2-methyl-1-pentanol 235.67
    methyl formate 285.97
    2-methyl-1-butanol 274.66
    n-decane 41.01
    butyronitrile 261.38
    3,7-dimethyl-1-octanol 189.47
    1-chlorooctane 223.45
    1-chlorotetradecane 62.41
    n-nonane 40.7
    undecane 24.05
    tert-butylcyclohexane 74.04
    cyclooctane 59.63
    cyclopentanol 531.52
    tetrahydropyran 995.64
    tert-amyl methyl ether 404.37
    2,5,8-trioxanonane 469.38
    1-hexene 219.7
    2-isopropoxyethanol 272.38
    2,2,2-trifluoroethanol 176.37
    methyl butyrate 685.7

    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