3-t-Butyl-4-hydroxyanisole

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  • Identifiers

    CAS number
    121-00-6

    Molecular formula
    C11H16O2

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 74.67%
    Woody 58.84%
    Spicy 54.37%
    Leathery 53.73%
    Smoky 51.9%
    Medicinal 49.43%
    Dry 35.62%
    Camphoreous 34.51%
    Sweet 32.89%
    Burnt 32.87%

     

    Flavor
    Phenolic 61.37%
    Camphor 45.59%
    Medicinal 38.44%
    Woody 34.57%
    Spice 33.9%
    Musty 33.82%
    Smoky 29.78%
    Leather 28.83%
    Bitter 28.64%
    Smoke 27.39%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.42 (weak base)

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    266°C

    Flash point

    • 113.25 ˚C est.

  • Synonyms

    • 2-tert-Butyl-4-methoxyphenol
    • 3-tert-Butyl-4-hydroxyanisole
    • 121-00-6
    • 25013-16-5
    • 4-Hydroxy-3-tert-butylanisole
    • 2-(tert-butyl)-4-methoxyphenol
    • 3-BHA
    • 3-T-BUTYL-4-HYDROXYANISOLE
    • 3-tert-Butyl-p-hydroxyanisole
    • 4-Methoxy-2-tert-butylphenol
    • Phenol, 2-(1,1-dimethylethyl)-4-methoxy-
    • Phenol, (1,1-dimethylethyl)-4-methoxy-
    • Phenol, 2-tert-butyl-4-methoxy-
    • 2-Butyl-4-hydroxyanisole
    • 2-(1,1-dimethylethyl)-4-methoxyphenol
    • CCRIS 3746
    • DTXSID7040788
    • HSDB 2750
    • tert-Butyl-4-hydroxyanisole
    • EINECS 204-442-7
    • MFCD00040484
    • o-tert-Butyl-p-methoxyphenol
    • 4-Methoxy-6-tert-butylphenol
    • BRN 1867499
    • 4-methoxy-2-tert-butyl-phenol
    • 2-(1,1-Dimethylethyl)-4-methoxy-phenol
    • 3-(1,1-Dimethylethyl)-4-hydroxyanisole
    • 1341-82-8
    • 62RAC24292
    • p-methoxy-o-tert-butylphenol
    • DTXCID90215
    • CHEBI:76358
    • 921-00-6
    • 3-T-BUTYL-4-HYDROXYANISOLE [HSDB]
    • 3-TERT-BUTYL-4-HYDROXYANISOLE [USP-RS]
    • BENZENE,1-TERT.BUTYL,2-HYDROXY,5-METHOXY
    • butylhydroxyanisol
    • 3-TERT-BUTYL-4-HYDROXYANISOLE (USP-RS)
    • 2-tert-Butyl-4-methoxy-phenol
    • UNII-62RAC24292
    • 2-t-Butyl-4-methoxyphenol (BHA)
    • 3-tert-Butyl-4-hydroxyanisole; 2-tert-Butyl-4-methoxyphenol; BHA; Butylated Hydroxyanisole related
    • 2-tert-Bha
    • 2tertButyl4methoxyphenol
    • 4Methoxy2tertbutylphenol
    • DSSTox_CID_215
    • Phenol, 2tertbutyl4methoxy
    • 2-t-butyl-4-methoxyphenol
    • DSSTox_RID_75439
    • DSSTox_GSID_20215
    • SCHEMBL35535
    • 3-tert-butyl-4-hydroxyanisol
    • MLS000069623
    • BIDD:ER0078
    • MSK2301
    • HMS1610G14
    • HMS2233F16
    • HMS3370C01
    • 2(1,1Dimethylethyl)4methoxyphenol
    • ALBB-023610
    • Tox21_201822
    • Tox21_300082
    • BBL027948
    • STL377914
    • 2(3)-t-Butyl-4-hydroxyanisole;BHA
    • Phenol, 2(1,1dimethylethyl)4methoxy
    • AKOS000120777
    • CCG-107062
    • FB32550
    • HY-W010037
    • NCGC00159405-02
    • NCGC00159405-03
    • NCGC00159405-04
    • NCGC00159405-05
    • NCGC00254068-01
    • NCGC00259371-01
    • AS-63590
    • CAS-121-00-6
    • DA-61954
    • MSK2301-1000
    • SMR000058171
    • SY113469
    • CAS-25013-16-5
    • Phenol,2-(1,1-dimethylethyl)-4-methoxy-
    • B0723
    • EU-0072133
    • NS00009076
    • EN300-20834
    • 1ST2301-1000
    • AB00514297_09
    • BRD-K93035859-001-07-6
    • Q27145913
    • Z104483428
    • 3-tert-Butyl-4-hydroxyanisole, tested according to Ph.Eur.
    • 3-tert-Butyl-4-hydroxyanisole, >=98% (sum of isomers, GC), <=10% 2-BHA basis (GC)
    • 3-tert-Butyl-4-hydroxyanisole, United States Pharmacopeia (USP) Reference Standard
    • tert-Butyl-4-hydroxyanisole (mixture of 2- and 3-isomer) Solution in Methanol, 1000?g/mL
    • tert-Butyl-4-hydroxyanisole (mixture of 2- and 3-isomer) Solution in Methanol, 1000mug/mL
    • 204-442-7
    • 3-tert-Butyl-4-hydroxyanisole, Pharmaceutical Secondary Standard; Certified Reference Material

  • Applications

    3-t-Butyl-4-hydroxyanisole (CAS 121-00-6) is widely used as an antioxidant and stabilizer in diverse industrial applications. In food processing, especially fats and oils, it helps retard lipid oxidation and extend product shelf life; in plastics and rubbers, it acts as a processing stabilizer to prevent oxidative degradation during manufacture and storage; in cosmetics and personal care, it serves as an antioxidant to protect formulation ingredients and improve product longevity; in coatings, inks, and adhesives, it provides oxidation resistance to enhance aging performance; in other polymer systems, it contributes to overall material stability by reducing oxidative damage.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 325.86
    methanol 325.05
    isopropanol 291.6
    water 0.69
    ethyl acetate 195.52
    n-propanol 290.67
    acetone 232.73
    n-butanol 258.15
    acetonitrile 261.75
    DMF 400.98
    toluene 121.72
    isobutanol 185.79
    1,4-dioxane 567.59
    methyl acetate 221.71
    THF 792.53
    2-butanone 225.95
    n-pentanol 154.72
    sec-butanol 214.61
    n-hexane 24.8
    ethylene glycol 79.48
    NMP 228.56
    cyclohexane 51.73
    DMSO 233.84
    n-butyl acetate 172.01
    n-octanol 124.7
    chloroform 506.17
    n-propyl acetate 119.78
    acetic acid 156.12
    dichloromethane 380.39
    cyclohexanone 295.58
    propylene glycol 141.02
    isopropyl acetate 103.68
    DMAc 236.6
    2-ethoxyethanol 187.05
    isopentanol 169.78
    n-heptane 41.19
    ethyl formate 195.66
    1,2-dichloroethane 221.4
    n-hexanol 290.39
    2-methoxyethanol 387.43
    isobutyl acetate 84.87
    tetrachloromethane 86.23
    n-pentyl acetate 96.78
    transcutol 255.68
    n-heptanol 128.31
    ethylbenzene 91.27
    MIBK 106.33
    2-propoxyethanol 334.16
    tert-butanol 349.07
    MTBE 209.82
    2-butoxyethanol 164.11
    propionic acid 153.52
    o-xylene 86.7
    formic acid 59.97
    diethyl ether 184.56
    m-xylene 93.6
    p-xylene 115.15
    chlorobenzene 147.54
    dimethyl carbonate 81.05
    n-octane 17.95
    formamide 97.15
    cyclopentanone 380.58
    2-pentanone 173.38
    anisole 169.36
    cyclopentyl methyl ether 214.2
    gamma-butyrolactone 394.02
    1-methoxy-2-propanol 306.35
    pyridine 250.76
    3-pentanone 127.21
    furfural 283.94
    n-dodecane 17.19
    diethylene glycol 221.06
    diisopropyl ether 54.26
    tert-amyl alcohol 233.74
    acetylacetone 168.72
    n-hexadecane 19.29
    acetophenone 131.15
    methyl propionate 162.31
    isopentyl acetate 143.81
    trichloroethylene 363.49
    n-nonanol 107.25
    cyclohexanol 187.48
    benzyl alcohol 132.51
    2-ethylhexanol 146.88
    isooctanol 93.51
    dipropyl ether 146.07
    1,2-dichlorobenzene 131.5
    ethyl lactate 86.36
    propylene carbonate 237.61
    n-methylformamide 188.56
    2-pentanol 146.32
    n-pentane 27.1
    1-propoxy-2-propanol 220.62
    1-methoxy-2-propyl acetate 159.78
    2-(2-methoxypropoxy) propanol 131.97
    mesitylene 58.26
    ε-caprolactone 254.62
    p-cymene 75.85
    epichlorohydrin 428.99
    1,1,1-trichloroethane 240.02
    2-aminoethanol 159.39
    morpholine-4-carbaldehyde 297.27
    sulfolane 307.47
    2,2,4-trimethylpentane 18.18
    2-methyltetrahydrofuran 383.43
    n-hexyl acetate 152.06
    isooctane 15.48
    2-(2-butoxyethoxy)ethanol 178.61
    sec-butyl acetate 83.91
    tert-butyl acetate 126.29
    decalin 28.86
    glycerin 151.73
    diglyme 294.32
    acrylic acid 115.63
    isopropyl myristate 73.54
    n-butyric acid 215.34
    acetyl acetate 115.51
    di(2-ethylhexyl) phthalate 69.36
    ethyl propionate 111.76
    nitromethane 249.0
    1,2-diethoxyethane 136.41
    benzonitrile 158.79
    trioctyl phosphate 59.93
    1-bromopropane 172.32
    gamma-valerolactone 406.71
    n-decanol 86.62
    triethyl phosphate 71.95
    4-methyl-2-pentanol 85.8
    propionitrile 227.92
    vinylene carbonate 214.48
    1,1,2-trichlorotrifluoroethane 233.74
    DMS 102.96
    cumene 67.74
    2-octanol 90.54
    2-hexanone 128.08
    octyl acetate 96.47
    limonene 100.31
    1,2-dimethoxyethane 332.88
    ethyl orthosilicate 70.86
    tributyl phosphate 60.78
    diacetone alcohol 164.24
    N,N-dimethylaniline 111.74
    acrylonitrile 223.1
    aniline 139.42
    1,3-propanediol 239.18
    bromobenzene 153.2
    dibromomethane 280.25
    1,1,2,2-tetrachloroethane 300.69
    2-methyl-cyclohexyl acetate 121.49
    tetrabutyl urea 79.75
    diisobutyl methanol 78.05
    2-phenylethanol 167.32
    styrene 99.34
    dioctyl adipate 95.08
    dimethyl sulfate 104.78
    ethyl butyrate 131.12
    methyl lactate 102.15
    butyl lactate 94.36
    diethyl carbonate 98.76
    propanediol butyl ether 146.75
    triethyl orthoformate 96.61
    p-tert-butyltoluene 79.54
    methyl 4-tert-butylbenzoate 128.78
    morpholine 562.26
    tert-butylamine 202.26
    n-dodecanol 70.88
    dimethoxymethane 267.14
    ethylene carbonate 187.84
    cyrene 142.66
    2-ethoxyethyl acetate 114.35
    2-ethylhexyl acetate 121.04
    1,2,4-trichlorobenzene 146.87
    4-methylpyridine 247.28
    dibutyl ether 98.57
    2,6-dimethyl-4-heptanol 78.05
    DEF 150.74
    dimethyl isosorbide 229.64
    tetrachloroethylene 178.68
    eugenol 127.45
    triacetin 116.26
    span 80 137.54
    1,4-butanediol 85.62
    1,1-dichloroethane 246.65
    2-methyl-1-pentanol 125.65
    methyl formate 175.84
    2-methyl-1-butanol 156.73
    n-decane 26.75
    butyronitrile 259.99
    3,7-dimethyl-1-octanol 103.11
    1-chlorooctane 80.34
    1-chlorotetradecane 38.66
    n-nonane 25.26
    undecane 21.22
    tert-butylcyclohexane 29.5
    cyclooctane 19.03
    cyclopentanol 232.09
    tetrahydropyran 461.06
    tert-amyl methyl ether 140.36
    2,5,8-trioxanonane 207.47
    1-hexene 85.69
    2-isopropoxyethanol 133.21
    2,2,2-trifluoroethanol 60.21
    methyl butyrate 147.68

    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