4-Tert-butylphenol;ethane-1,2-diol;2-hydroxyacetic acid

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  • Identifiers

    CAS number
    104909-82-2

    Molecular formula
    C14H24O6

    SMILES
    CC(C)(C)C1=CC=C(C=C1)O.C(CO)O.C(C(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 81.28%
    Spicy 61.38%
    Leathery 61.02%
    Medicinal 55.63%
    Smoky 53.99%
    Woody 47.77%
    Animal 40.79%
    Dry 35.8%
    Burnt 33.05%
    Herbal 27.19%

     

    Flavor
    Phenolic 54.41%
    Medicinal 42.68%
    Camphor 40.19%
    Woody 36.65%
    Leather 32.49%
    Spice 29.67%
    Guaiacol 24.43%
    Musty 24.0%
    Smoke 23.65%
    Creosote 23.63%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    9.94 (weak base)

    Molecular weight
    288.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    239°C

    Flash point

    • 108.31 ˚C est.

  • Synonyms

    • 104909-82-2
    • 4-Tert-butylphenol;ethane-1,2-diol;2-hydroxyacetic acid
    • SCHEMBL29517689
    • DTXSID50583772
    • OAGSUPHYBVNDLY-UHFFFAOYSA-N
    • Glycolic acid ethoxylate 4-tert-butylphenyl ether, average Mn ~380
    • 104909-82-2

  • Applications

    Chemical name and CAS: 4-Tert-butylphenol;ethane-1,2-diol;2-hydroxyacetic acid (CAS 104909-82-2) are primarily used as an intermediate and additive in plastics, coatings, and adhesives: 4-tert-butylphenol acts as an antioxidant/stabilizer for polymers to improve durability and thermal stability; ethane-1,2-diol (ethylene glycol) serves as a diol polyol in the synthesis of polyesters and polyurethanes; glycolic acid provides a carboxyl group for esterification reactions and to tailor resin properties or form new plastic units; the mixture can also act as a processing aid or co-solvent in coating systems and adhesives, and as an intermediate for the production of specialty resins.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 967.83
    methanol 522.91
    isopropanol 685.83
    water 0.94
    ethyl acetate 1086.94
    n-propanol 824.77
    acetone 1299.3
    n-butanol 734.1
    acetonitrile 1103.66
    DMF 1178.06
    toluene 161.55
    isobutanol 485.13
    1,4-dioxane 1467.31
    methyl acetate 862.02
    THF 2539.0
    2-butanone 1004.15
    n-pentanol 300.77
    sec-butanol 493.61
    n-hexane 58.35
    ethylene glycol 107.19
    NMP 689.83
    cyclohexane 76.1
    DMSO 664.03
    n-butyl acetate 663.09
    n-octanol 236.58
    chloroform 790.07
    n-propyl acetate 393.13
    acetic acid 387.56
    dichloromethane 979.86
    cyclohexanone 883.86
    propylene glycol 242.71
    isopropyl acetate 478.09
    DMAc 617.4
    2-ethoxyethanol 411.51
    isopentanol 461.58
    n-heptane 97.65
    ethyl formate 647.38
    1,2-dichloroethane 621.09
    n-hexanol 631.05
    2-methoxyethanol 932.02
    isobutyl acetate 225.89
    tetrachloromethane 122.46
    n-pentyl acetate 238.33
    transcutol 1151.69
    n-heptanol 230.24
    ethylbenzene 101.66
    MIBK 372.98
    2-propoxyethanol 871.73
    tert-butanol 735.48
    MTBE 653.55
    2-butoxyethanol 358.38
    propionic acid 449.58
    o-xylene 99.69
    formic acid 124.51
    diethyl ether 893.08
    m-xylene 134.72
    p-xylene 128.32
    chlorobenzene 254.59
    dimethyl carbonate 292.33
    n-octane 31.69
    formamide 326.76
    cyclopentanone 1466.45
    2-pentanone 881.05
    anisole 315.86
    cyclopentyl methyl ether 724.92
    gamma-butyrolactone 1505.81
    1-methoxy-2-propanol 787.25
    pyridine 537.3
    3-pentanone 512.51
    furfural 733.66
    n-dodecane 26.04
    diethylene glycol 418.85
    diisopropyl ether 215.51
    tert-amyl alcohol 471.2
    acetylacetone 795.2
    n-hexadecane 29.07
    acetophenone 225.7
    methyl propionate 761.44
    isopentyl acetate 441.98
    trichloroethylene 888.81
    n-nonanol 196.21
    cyclohexanol 339.23
    benzyl alcohol 166.86
    2-ethylhexanol 298.56
    isooctanol 158.83
    dipropyl ether 555.7
    1,2-dichlorobenzene 208.55
    ethyl lactate 164.56
    propylene carbonate 703.56
    n-methylformamide 697.59
    2-pentanol 415.09
    n-pentane 64.41
    1-propoxy-2-propanol 574.96
    1-methoxy-2-propyl acetate 577.43
    2-(2-methoxypropoxy) propanol 292.64
    mesitylene 86.87
    ε-caprolactone 688.93
    p-cymene 109.35
    epichlorohydrin 1499.99
    1,1,1-trichloroethane 512.92
    2-aminoethanol 317.51
    morpholine-4-carbaldehyde 880.05
    sulfolane 976.37
    2,2,4-trimethylpentane 36.19
    2-methyltetrahydrofuran 1386.28
    n-hexyl acetate 390.65
    isooctane 34.62
    2-(2-butoxyethoxy)ethanol 452.47
    sec-butyl acetate 243.83
    tert-butyl acetate 472.53
    decalin 38.11
    glycerin 221.96
    diglyme 765.4
    acrylic acid 276.2
    isopropyl myristate 161.91
    n-butyric acid 697.62
    acetyl acetate 457.49
    di(2-ethylhexyl) phthalate 127.85
    ethyl propionate 398.91
    nitromethane 1033.98
    1,2-diethoxyethane 580.6
    benzonitrile 255.98
    trioctyl phosphate 115.33
    1-bromopropane 426.48
    gamma-valerolactone 1414.49
    n-decanol 155.45
    triethyl phosphate 149.08
    4-methyl-2-pentanol 205.53
    propionitrile 765.02
    vinylene carbonate 560.13
    1,1,2-trichlorotrifluoroethane 423.86
    DMS 277.97
    cumene 78.99
    2-octanol 144.16
    2-hexanone 382.93
    octyl acetate 216.53
    limonene 180.34
    1,2-dimethoxyethane 725.15
    ethyl orthosilicate 142.04
    tributyl phosphate 142.8
    diacetone alcohol 485.77
    N,N-dimethylaniline 173.52
    acrylonitrile 665.04
    aniline 230.73
    1,3-propanediol 507.79
    bromobenzene 247.56
    dibromomethane 590.26
    1,1,2,2-tetrachloroethane 555.37
    2-methyl-cyclohexyl acetate 273.71
    tetrabutyl urea 164.94
    diisobutyl methanol 169.89
    2-phenylethanol 248.36
    styrene 114.98
    dioctyl adipate 218.13
    dimethyl sulfate 298.6
    ethyl butyrate 432.05
    methyl lactate 271.05
    butyl lactate 192.97
    diethyl carbonate 264.99
    propanediol butyl ether 311.77
    triethyl orthoformate 252.36
    p-tert-butyltoluene 122.63
    methyl 4-tert-butylbenzoate 242.75
    morpholine 1566.42
    tert-butylamine 479.87
    n-dodecanol 119.31
    dimethoxymethane 1045.26
    ethylene carbonate 491.6
    cyrene 267.13
    2-ethoxyethyl acetate 345.24
    2-ethylhexyl acetate 336.97
    1,2,4-trichlorobenzene 233.02
    4-methylpyridine 503.08
    dibutyl ether 313.31
    2,6-dimethyl-4-heptanol 169.89
    DEF 611.07
    dimethyl isosorbide 627.23
    tetrachloroethylene 297.88
    eugenol 218.56
    triacetin 290.75
    span 80 295.21
    1,4-butanediol 131.03
    1,1-dichloroethane 671.33
    2-methyl-1-pentanol 218.21
    methyl formate 545.62
    2-methyl-1-butanol 398.37
    n-decane 44.71
    butyronitrile 839.63
    3,7-dimethyl-1-octanol 192.83
    1-chlorooctane 155.01
    1-chlorotetradecane 67.1
    n-nonane 45.14
    undecane 33.57
    tert-butylcyclohexane 45.21
    cyclooctane 29.48
    cyclopentanol 524.01
    tetrahydropyran 1370.55
    tert-amyl methyl ether 370.33
    2,5,8-trioxanonane 491.64
    1-hexene 199.74
    2-isopropoxyethanol 283.56
    2,2,2-trifluoroethanol 141.4
    methyl butyrate 457.12

    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