6-tert-Butyl-2,4-xylenol

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  • Identifiers

    CAS number
    1879-09-0

    Molecular formula
    C12H18O

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 69.23%
    Leathery 57.76%
    Smoky 47.84%
    Woody 47.42%
    Spicy 46.83%
    Medicinal 43.85%
    Burnt 37.97%
    Dry 36.26%
    Animal 33.14%
    Camphoreous 31.83%

     

    Flavor
    Phenolic 57.49%
    Camphor 44.95%
    Musty 38.89%
    Woody 37.73%
    Medicinal 36.3%
    Leather 32.54%
    Mild 28.95%
    Spice 28.15%
    Smoke 28.12%
    Smoky 27.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    9.91 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 113.45 ˚C est.

  • Synonyms

    • 1879-09-0
    • 2-tert-Butyl-4,6-dimethylphenol
    • 2-(tert-Butyl)-4,6-dimethylphenol
    • 2,4-Dimethyl-6-tert-butylphenol
    • 6-tert-Butyl-2,4-xylenol
    • Topanol A
    • 6-tert-Butyl-2,4-dimethylphenol
    • 6-t-Butyl-2,4-xylenol
    • Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-
    • Prodox 340
    • 2,4-Xylenol, 6-tert-butyl-
    • 6-t-Butyl-2,4-dimethylphenol
    • NSC 8130
    • DTXSID6041551
    • EINECS 217-533-1
    • 4HZG7U1P1S
    • BRN 1941702
    • 2,4-Dimethyl-6-tert-butyl phenol
    • NSC-8130
    • 2,4-Dimethyl-6-t-butylphenol
    • DTXCID4021551
    • 2-methyl-6-tert-butyl-p-cresol
    • EC 217-533-1
    • 4-06-00-03442 (Beilstein Handbook Reference)
    • 2-TERT-BUTYL-4,6-METHYLPHENOL
    • 4,6-DIMETHYL-2-TERT-BUTYLPHENOL
    • 2-(1,1-DIMETHYLETHYL)-4,6-DIMETHYLPHENOL
    • UNII-4HZG7U1P1S
    • 6-tert-Butyl-2,4-dimethylphenol; 2-tert-Butyl-4,6-dimethylphenol
    • 6tButyl2,4xylenol
    • MFCD00002234
    • 2, 6-tert-butyl-
    • 2,4Xylenol, 6tbutyl
    • 2Methyl6tertbutylpcresol
    • 2,4Xylenol, 6tertbutyl
    • 6tButyl2,4dimethylphenol
    • 2-(1,1-dimethylethyl)-4,6-dimethyl-phenol
    • 2,4Dimethyl6tertbutylphenol
    • 2tertButyl4,6dimethylphenol
    • 6tertButyl2,4dimethylphenol
    • SCHEMBL38838
    • CHEMBL3561934
    • NSC8130
    • 2,4-dimethyl-6-tert-butyl-phenol
    • Tox21_303705
    • phenol, 2-tert-butyl-4,6-dimethyl-
    • 6(1,1Dimethylethyl)2,4dimethylphenol
    • AKOS006227764
    • CS-W017305
    • PS-8555
    • Phenol,1-dimethylethyl)-4,6-dimethyl-
    • NCGC00356939-01
    • WLN: QR B1 D1 F1X1&1&1
    • AC-10178
    • BP-10485
    • Phenol, 2(1,1dimethylethyl)4,6dimethyl
    • CAS-1879-09-0
    • DB-019984
    • 2-(1,1-dimethylethyl)-4,6-dimethyl-pheno
    • B0903
    • NS00001670
    • E83022
    • EN300-213022
    • 6-(1,1-DIMETHYLETHYL)-2,4-DIMETHYLPHENOL
    • Q4272672
    • 217-533-1

  • Applications

    6-tert-Butyl-2,4-xylenol (CAS 1879-09-0) is a hindered phenolic antioxidant commonly used to stabilize polymers and coatings. Real-world applications include: (1) antioxidant/stabilizer for plastics, elastomers, and rubber formulations; (2) additive for coatings and inks to improve color stability and weathering resistance; (3) antioxidant component in lubricants and industrial oils to extend service life; (4) stabilizer in adhesives and sealants formulations; (5) stabilizer in polymer compounding and materials manufacturing. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 677.89
    methanol 525.92
    isopropanol 961.35
    water 1.0
    ethyl acetate 1411.1
    n-propanol 810.68
    acetone 1719.49
    n-butanol 871.17
    acetonitrile 1157.96
    DMF 1784.92
    toluene 839.18
    isobutanol 819.37
    1,4-dioxane 2225.52
    methyl acetate 1276.58
    THF 4585.55
    2-butanone 1659.8
    n-pentanol 680.2
    sec-butanol 977.42
    n-hexane 735.32
    ethylene glycol 132.22
    NMP 1326.03
    cyclohexane 641.74
    DMSO 948.01
    n-butyl acetate 1444.33
    n-octanol 888.51
    chloroform 2208.67
    n-propyl acetate 875.64
    acetic acid 348.26
    dichloromethane 1652.65
    cyclohexanone 2055.29
    propylene glycol 272.68
    isopropyl acetate 1055.26
    DMAc 1134.82
    2-ethoxyethanol 665.43
    isopentanol 859.17
    n-heptane 466.17
    ethyl formate 733.6
    1,2-dichloroethane 1383.79
    n-hexanol 1510.39
    2-methoxyethanol 918.87
    isobutyl acetate 731.77
    tetrachloromethane 525.89
    n-pentyl acetate 835.54
    transcutol 1054.37
    n-heptanol 765.97
    ethylbenzene 713.23
    MIBK 1124.58
    2-propoxyethanol 1433.34
    tert-butanol 1398.52
    MTBE 1947.63
    2-butoxyethanol 818.57
    propionic acid 571.16
    o-xylene 599.15
    formic acid 86.99
    diethyl ether 1774.81
    m-xylene 799.91
    p-xylene 836.39
    chlorobenzene 830.15
    dimethyl carbonate 508.05
    n-octane 273.58
    formamide 151.49
    cyclopentanone 2772.35
    2-pentanone 1599.39
    anisole 993.03
    cyclopentyl methyl ether 2218.37
    gamma-butyrolactone 2341.33
    1-methoxy-2-propanol 1068.12
    pyridine 1105.63
    3-pentanone 1192.63
    furfural 1141.55
    n-dodecane 200.1
    diethylene glycol 623.84
    diisopropyl ether 839.92
    tert-amyl alcohol 1185.57
    acetylacetone 1255.31
    n-hexadecane 229.23
    acetophenone 696.42
    methyl propionate 1146.71
    isopentyl acetate 1322.55
    trichloroethylene 2099.0
    n-nonanol 732.59
    cyclohexanol 1029.59
    benzyl alcohol 519.81
    2-ethylhexanol 916.91
    isooctanol 641.0
    dipropyl ether 1249.86
    1,2-dichlorobenzene 727.93
    ethyl lactate 407.05
    propylene carbonate 1257.92
    n-methylformamide 660.82
    2-pentanol 943.4
    n-pentane 533.82
    1-propoxy-2-propanol 1137.99
    1-methoxy-2-propyl acetate 1120.07
    2-(2-methoxypropoxy) propanol 528.97
    mesitylene 588.01
    ε-caprolactone 1516.38
    p-cymene 479.8
    epichlorohydrin 2345.59
    1,1,1-trichloroethane 1728.33
    2-aminoethanol 266.86
    morpholine-4-carbaldehyde 1383.57
    sulfolane 2001.32
    2,2,4-trimethylpentane 257.96
    2-methyltetrahydrofuran 2837.84
    n-hexyl acetate 1362.52
    isooctane 261.44
    2-(2-butoxyethoxy)ethanol 790.27
    sec-butyl acetate 691.67
    tert-butyl acetate 1243.11
    decalin 349.21
    glycerin 278.28
    diglyme 1294.5
    acrylic acid 385.17
    isopropyl myristate 593.19
    n-butyric acid 856.88
    acetyl acetate 658.37
    di(2-ethylhexyl) phthalate 314.37
    ethyl propionate 850.79
    nitromethane 969.81
    1,2-diethoxyethane 1004.15
    benzonitrile 687.1
    trioctyl phosphate 351.96
    1-bromopropane 1280.38
    gamma-valerolactone 2274.12
    n-decanol 580.91
    triethyl phosphate 351.44
    4-methyl-2-pentanol 660.82
    propionitrile 1187.12
    vinylene carbonate 885.84
    1,1,2-trichlorotrifluoroethane 793.61
    DMS 710.02
    cumene 547.55
    2-octanol 666.26
    2-hexanone 1108.6
    octyl acetate 749.42
    limonene 711.43
    1,2-dimethoxyethane 1609.13
    ethyl orthosilicate 368.06
    tributyl phosphate 356.18
    diacetone alcohol 1046.77
    N,N-dimethylaniline 716.45
    acrylonitrile 1021.55
    aniline 621.77
    1,3-propanediol 461.15
    bromobenzene 941.98
    dibromomethane 1307.66
    1,1,2,2-tetrachloroethane 1877.61
    2-methyl-cyclohexyl acetate 710.95
    tetrabutyl urea 465.58
    diisobutyl methanol 571.0
    2-phenylethanol 821.17
    styrene 684.44
    dioctyl adipate 530.4
    dimethyl sulfate 679.7
    ethyl butyrate 869.42
    methyl lactate 462.06
    butyl lactate 532.28
    diethyl carbonate 508.74
    propanediol butyl ether 691.94
    triethyl orthoformate 549.33
    p-tert-butyltoluene 544.17
    methyl 4-tert-butylbenzoate 749.6
    morpholine 2058.37
    tert-butylamine 1096.89
    n-dodecanol 480.53
    dimethoxymethane 1402.2
    ethylene carbonate 836.03
    cyrene 524.83
    2-ethoxyethyl acetate 723.14
    2-ethylhexyl acetate 1040.21
    1,2,4-trichlorobenzene 741.45
    4-methylpyridine 1247.59
    dibutyl ether 1011.46
    2,6-dimethyl-4-heptanol 571.0
    DEF 1225.3
    dimethyl isosorbide 1056.27
    tetrachloroethylene 1073.74
    eugenol 594.95
    triacetin 611.58
    span 80 581.16
    1,4-butanediol 241.1
    1,1-dichloroethane 1719.75
    2-methyl-1-pentanol 643.67
    methyl formate 669.84
    2-methyl-1-butanol 815.54
    n-decane 320.63
    butyronitrile 1341.57
    3,7-dimethyl-1-octanol 750.25
    1-chlorooctane 842.48
    1-chlorotetradecane 365.75
    n-nonane 346.5
    undecane 247.18
    tert-butylcyclohexane 384.93
    cyclooctane 348.07
    cyclopentanol 1176.17
    tetrahydropyran 2706.3
    tert-amyl methyl ether 1311.49
    2,5,8-trioxanonane 770.74
    1-hexene 1283.24
    2-isopropoxyethanol 641.4
    2,2,2-trifluoroethanol 174.48
    methyl butyrate 994.04

    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