2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate

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  • Identifiers

    CAS number
    4221-80-1

    Molecular formula
    C29H42O3

    SMILES
    CC(C)(C)C1=CC(=C(C=C1)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 53.84%
    Dry 42.38%
    Musk 40.18%
    Phenolic 38.15%
    Leathery 35.99%
    Amber 34.97%
    Vetiver 33.7%
    Camphoreous 32.14%
    Spicy 28.55%
    Animal 28.14%

     

    Flavor
    Camphor 40.47%
    Phenolic 35.27%
    Woody 31.95%
    Musty 29.36%
    Bitter 29.33%
    Mild 27.56%
    Herbal 21.22%
    Creosote 21.13%
    Thymol 21.03%
    Green pepper 20.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.7

    pKa est.
    5.45 (weak acid)

    Molecular weight
    438.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    476°C

    Flash point

    • 172.03 ˚C est.

  • Synonyms

    • 4221-80-1
    • Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,4-bis(1,1-dimethylethyl)phenyl ester
    • M2AC510TZ8
    • Tetrabutyl Phenyl Hydroxybenzoate
    • UV-CHEK AM-340
    • DTXSID5063364
    • 3,5-Ditert-butyl-4-hydroxy-(2,4-ditert-butylphenyl)benzoate
    • 2,4-di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate
    • DBHDBPB
    • RefChem:896729
    • DTXCID3040063
    • 224-166-0
    • 2,4-Di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate
    • (2,4-ditert-butylphenyl) 3,5-ditert-butyl-4-hydroxybenzoate
    • 2,4-Di-tert-butylphenyl3,5-di-tert-buty1-4-hydroxybenzoate
    • Benzoic acid,3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,4-bis(1,1-dimethylethyl)phenyl ester
    • UNII-M2AC510TZ8
    • EINECS 224-166-0
    • UV Absorber UV120
    • starbld0016914
    • 3,5-Di-tert-butyl-4-hydroxybenzoic acid, (2,4-di-tert-butylphenyl) ester
    • EC 224-166-0
    • SCHEMBL76989
    • SCHEMBL29350333
    • KJYSXRBJOSZLEL-UHFFFAOYSA-N
    • AKOS015895752
    • NS00001946
    • G78373
    • 221D801
    • Q27283386
    • 2,4-Di-tert-butylphenyl 3a(2),5a(2)-di-tert-butyl-4a(2)-hydroxybenzoate
    • 2,4-DI-TERT-BUTYLPHENYL 4'-HYDROXY-3',5'-DI-TERT-BUTYLBENZOATE
    • 2 pound not4-Di-tert-butylphenyl 3 pound not5-di-tert-butyl-4-hydroxybenzoate
    • 3,5-DI-TERT-BUTYL-4-HYDROXYBENZOIC ACID, 2,4,-DI-TERT-BUTYLPHENYL ESTER
    • BENZOIC ACID, 3,5-DI-TERT-BUTYL-4-HYDROXY-, 2,4-DI-TERT-BUTYLPHENYL ESTER
    • 4221-80-1

  • Applications

    2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate (CAS 4221-80-1) is a hindered phenolic antioxidant widely employed as a stabilizer in polymers and plastics to suppress thermal-oxidative degradation during processing and in end-use applications; it also finds use in coatings and inks as an antioxidant/stabilizer, in adhesives to enhance oxidative stability, in lubricants and fuels to extend shelf life, and in rubbers and elastomers to improve aging resistance, making it a versatile additive in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 67.89
    methanol 36.91
    isopropanol 61.43
    water 0.14
    ethyl acetate 116.97
    n-propanol 84.96
    acetone 176.8
    n-butanol 69.91
    acetonitrile 62.21
    DMF 354.95
    toluene 113.48
    isobutanol 66.37
    1,4-dioxane 212.47
    methyl acetate 123.32
    THF 644.03
    2-butanone 195.99
    n-pentanol 81.3
    sec-butanol 78.79
    n-hexane 12.68
    ethylene glycol 9.78
    NMP 639.65
    cyclohexane 9.9
    DMSO 190.29
    n-butyl acetate 152.95
    n-octanol 63.35
    chloroform 448.75
    n-propyl acetate 129.2
    acetic acid 102.53
    dichloromethane 380.66
    cyclohexanone 298.15
    propylene glycol 40.68
    isopropyl acetate 97.8
    DMAc 378.38
    2-ethoxyethanol 114.32
    isopentanol 60.44
    n-heptane 11.79
    ethyl formate 90.21
    1,2-dichloroethane 194.72
    n-hexanol 83.77
    2-methoxyethanol 129.85
    isobutyl acetate 111.48
    tetrachloromethane 43.96
    n-pentyl acetate 162.66
    transcutol 224.21
    n-heptanol 80.18
    ethylbenzene 68.43
    MIBK 104.81
    2-propoxyethanol 184.23
    tert-butanol 71.36
    MTBE 89.24
    2-butoxyethanol 168.6
    propionic acid 91.98
    o-xylene 63.59
    formic acid 29.12
    diethyl ether 73.35
    m-xylene 80.82
    p-xylene 109.25
    chlorobenzene 181.91
    dimethyl carbonate 85.55
    n-octane 6.39
    formamide 58.95
    cyclopentanone 499.86
    2-pentanone 153.17
    anisole 144.51
    cyclopentyl methyl ether 210.56
    gamma-butyrolactone 519.3
    1-methoxy-2-propanol 159.79
    pyridine 303.73
    3-pentanone 121.51
    furfural 367.05
    n-dodecane 3.91
    diethylene glycol 72.96
    diisopropyl ether 29.06
    tert-amyl alcohol 82.67
    acetylacetone 192.37
    n-hexadecane 4.62
    acetophenone 168.92
    methyl propionate 134.18
    isopentyl acetate 147.71
    trichloroethylene 506.21
    n-nonanol 64.42
    cyclohexanol 74.19
    benzyl alcohol 106.4
    2-ethylhexanol 66.29
    isooctanol 69.42
    dipropyl ether 90.15
    1,2-dichlorobenzene 165.29
    ethyl lactate 76.79
    propylene carbonate 273.91
    n-methylformamide 129.63
    2-pentanol 56.25
    n-pentane 7.95
    1-propoxy-2-propanol 168.42
    1-methoxy-2-propyl acetate 184.79
    2-(2-methoxypropoxy) propanol 132.79
    mesitylene 42.57
    ε-caprolactone 294.66
    p-cymene 54.71
    epichlorohydrin 522.71
    1,1,1-trichloroethane 220.14
    2-aminoethanol 40.3
    morpholine-4-carbaldehyde 446.62
    sulfolane 609.12
    2,2,4-trimethylpentane 6.48
    2-methyltetrahydrofuran 325.56
    n-hexyl acetate 167.9
    isooctane 4.69
    2-(2-butoxyethoxy)ethanol 163.84
    sec-butyl acetate 94.85
    tert-butyl acetate 129.62
    decalin 10.99
    glycerin 47.14
    diglyme 261.39
    acrylic acid 87.93
    isopropyl myristate 63.67
    n-butyric acid 118.55
    acetyl acetate 85.62
    di(2-ethylhexyl) phthalate 84.15
    ethyl propionate 109.34
    nitromethane 210.95
    1,2-diethoxyethane 119.4
    benzonitrile 125.08
    trioctyl phosphate 58.98
    1-bromopropane 115.22
    gamma-valerolactone 639.8
    n-decanol 44.24
    triethyl phosphate 64.24
    4-methyl-2-pentanol 37.89
    propionitrile 74.09
    vinylene carbonate 219.17
    1,1,2-trichlorotrifluoroethane 276.76
    DMS 132.56
    cumene 51.06
    2-octanol 59.92
    2-hexanone 164.24
    octyl acetate 89.76
    limonene 65.36
    1,2-dimethoxyethane 198.81
    ethyl orthosilicate 64.05
    tributyl phosphate 61.36
    diacetone alcohol 144.51
    N,N-dimethylaniline 123.06
    acrylonitrile 97.75
    aniline 112.62
    1,3-propanediol 54.42
    bromobenzene 205.51
    dibromomethane 229.41
    1,1,2,2-tetrachloroethane 368.37
    2-methyl-cyclohexyl acetate 136.97
    tetrabutyl urea 93.96
    diisobutyl methanol 35.7
    2-phenylethanol 133.38
    styrene 77.63
    dioctyl adipate 108.24
    dimethyl sulfate 159.66
    ethyl butyrate 116.18
    methyl lactate 89.3
    butyl lactate 136.75
    diethyl carbonate 73.51
    propanediol butyl ether 137.61
    triethyl orthoformate 100.11
    p-tert-butyltoluene 55.21
    methyl 4-tert-butylbenzoate 193.2
    morpholine 296.51
    tert-butylamine 41.74
    n-dodecanol 29.8
    dimethoxymethane 173.5
    ethylene carbonate 156.37
    cyrene 208.11
    2-ethoxyethyl acetate 177.73
    2-ethylhexyl acetate 128.68
    1,2,4-trichlorobenzene 227.94
    4-methylpyridine 277.43
    dibutyl ether 69.64
    2,6-dimethyl-4-heptanol 35.7
    DEF 162.97
    dimethyl isosorbide 322.09
    tetrachloroethylene 174.64
    eugenol 167.97
    triacetin 167.21
    span 80 147.36
    1,4-butanediol 33.77
    1,1-dichloroethane 202.59
    2-methyl-1-pentanol 73.24
    methyl formate 108.53
    2-methyl-1-butanol 69.66
    n-decane 8.46
    butyronitrile 82.14
    3,7-dimethyl-1-octanol 53.8
    1-chlorooctane 47.02
    1-chlorotetradecane 15.16
    n-nonane 8.1
    undecane 5.54
    tert-butylcyclohexane 12.27
    cyclooctane 4.74
    cyclopentanol 122.8
    tetrahydropyran 204.17
    tert-amyl methyl ether 82.97
    2,5,8-trioxanonane 165.58
    1-hexene 50.08
    2-isopropoxyethanol 102.05
    2,2,2-trifluoroethanol 44.58
    methyl butyrate 145.15

    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