1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-, sodium salt (1:2)

Overview IFRA Request a quote

  • Identifiers

    CAS number
    62637-89-2

    Molecular formula
    C28H28Na2O4

    SMILES
    CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)[O-])C(C)C)C(C)C)[O-].[Na+].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 47.82%
    Musk 36.99%
    Spicy 35.73%
    Sweet 34.64%
    Dry 30.9%
    Animal 30.59%
    Leathery 28.64%
    Woody 28.62%
    Fruity 27.46%
    Smoky 26.99%

     

    Flavor
    Bitter 80.78%
    Cedarleaf 20.64%
    Bland 20.56%
    Parsley 20.05%
    Lovage 19.49%
    Ripe apricot 18.9%
    Red fruit 18.88%
    Odorless 18.86%
    Thymol 18.75%
    Nitrile 18.74%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.62 (weak acid)

    Molecular weight
    474.5 g/mol

    Flash point

    • 198.99 ˚C est.

  • Synonyms

    • DTXSID10890914
    • 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-, sodium salt (1:2)
    • 1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-, sodium salt (1:2)
    • RefChem:408835
    • DTXCID701031328
    • 62637-89-2
    • disodium 4,4'-(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[5-methyl-2-(propan-2-yl)phenolate]
    • 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-, disodium salt
    • 1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-, disodium salt
    • Sodium 4,4'-(3-oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(2-isopropyl-5-methylphenolate)
    • Thymolphthalein disodium salt
    • WXIUSLCTZZEKKZ-UHFFFAOYSA-L
    • 62637-89-2

  • Applications

    1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-, sodium salt (1:2) (CAS 62637-89-2) is the disodium salt of a bisphenol phthalide bearing two phenolic groups. In industrial settings, it is commonly evaluated as a stabilizer/antioxidant for polymer formulations, helping to improve thermal stability and oxidative resistance of plastics such as PVC and polyolefins. It may also be used as an additive in coatings and inks to enhance color fastness and weathering performance. It can function as a stabilizer in adhesive formulations to extend aging performance. Additionally, it may serve as an intermediate in the synthesis of specialty chemicals (e.g., dyes or related building blocks). Depending on formulation and regulatory constraints, it may be considered for cosmetic/personal care applications as an antioxidant or processing stabilizer.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 69.88
    methanol 58.95
    isopropanol 54.84
    water 0.09
    ethyl acetate 73.4
    n-propanol 81.46
    acetone 159.41
    n-butanol 69.9
    acetonitrile 48.25
    DMF 308.28
    toluene 92.63
    isobutanol 62.32
    1,4-dioxane 206.89
    methyl acetate 96.37
    THF 414.72
    2-butanone 160.78
    n-pentanol 71.1
    sec-butanol 67.81
    n-hexane 5.17
    ethylene glycol 17.14
    NMP 431.36
    cyclohexane 6.03
    DMSO 133.87
    n-butyl acetate 92.35
    n-octanol 39.68
    chloroform 356.43
    n-propyl acetate 78.41
    acetic acid 118.6
    dichloromethane 308.06
    cyclohexanone 260.32
    propylene glycol 37.68
    isopropyl acetate 67.15
    DMAc 319.61
    2-ethoxyethanol 118.54
    isopentanol 62.87
    n-heptane 3.81
    ethyl formate 59.95
    1,2-dichloroethane 204.43
    n-hexanol 70.76
    2-methoxyethanol 157.38
    isobutyl acetate 75.04
    tetrachloromethane 39.84
    n-pentyl acetate 121.18
    transcutol 255.89
    n-heptanol 54.55
    ethylbenzene 43.36
    MIBK 84.88
    2-propoxyethanol 187.29
    tert-butanol 53.17
    MTBE 53.1
    2-butoxyethanol 127.44
    propionic acid 89.77
    o-xylene 44.28
    formic acid 42.58
    diethyl ether 66.49
    m-xylene 52.28
    p-xylene 63.87
    chlorobenzene 143.28
    dimethyl carbonate 89.74
    n-octane 2.89
    formamide 75.52
    cyclopentanone 332.51
    2-pentanone 118.61
    anisole 86.96
    cyclopentyl methyl ether 127.4
    gamma-butyrolactone 304.65
    1-methoxy-2-propanol 146.9
    pyridine 233.66
    3-pentanone 97.73
    furfural 241.9
    n-dodecane 2.66
    diethylene glycol 117.46
    diisopropyl ether 20.56
    tert-amyl alcohol 59.97
    acetylacetone 140.41
    n-hexadecane 3.14
    acetophenone 106.85
    methyl propionate 98.86
    isopentyl acetate 101.04
    trichloroethylene 456.9
    n-nonanol 42.36
    cyclohexanol 71.56
    benzyl alcohol 94.82
    2-ethylhexanol 44.19
    isooctanol 49.94
    dipropyl ether 39.97
    1,2-dichlorobenzene 128.78
    ethyl lactate 55.56
    propylene carbonate 156.67
    n-methylformamide 116.43
    2-pentanol 47.48
    n-pentane 3.93
    1-propoxy-2-propanol 122.99
    1-methoxy-2-propyl acetate 123.68
    2-(2-methoxypropoxy) propanol 104.04
    mesitylene 26.76
    ε-caprolactone 219.62
    p-cymene 28.24
    epichlorohydrin 378.82
    1,1,1-trichloroethane 161.08
    2-aminoethanol 45.97
    morpholine-4-carbaldehyde 362.62
    sulfolane 354.84
    2,2,4-trimethylpentane 3.58
    2-methyltetrahydrofuran 196.73
    n-hexyl acetate 114.75
    isooctane 2.48
    2-(2-butoxyethoxy)ethanol 143.85
    sec-butyl acetate 64.69
    tert-butyl acetate 83.84
    decalin 6.08
    glycerin 62.02
    diglyme 214.81
    acrylic acid 100.14
    isopropyl myristate 43.29
    n-butyric acid 104.25
    acetyl acetate 62.17
    di(2-ethylhexyl) phthalate 64.34
    ethyl propionate 60.76
    nitromethane 182.23
    1,2-diethoxyethane 110.89
    benzonitrile 104.5
    trioctyl phosphate 43.55
    1-bromopropane 97.0
    gamma-valerolactone 434.05
    n-decanol 30.05
    triethyl phosphate 42.73
    4-methyl-2-pentanol 32.36
    propionitrile 62.47
    vinylene carbonate 160.32
    1,1,2-trichlorotrifluoroethane 238.28
    DMS 122.21
    cumene 30.25
    2-octanol 40.3
    2-hexanone 107.02
    octyl acetate 62.1
    limonene 34.71
    1,2-dimethoxyethane 161.52
    ethyl orthosilicate 41.44
    tributyl phosphate 46.72
    diacetone alcohol 105.95
    N,N-dimethylaniline 64.66
    acrylonitrile 86.07
    aniline 104.45
    1,3-propanediol 68.93
    bromobenzene 141.27
    dibromomethane 192.53
    1,1,2,2-tetrachloroethane 337.23
    2-methyl-cyclohexyl acetate 78.48
    tetrabutyl urea 67.88
    diisobutyl methanol 24.02
    2-phenylethanol 117.27
    styrene 54.11
    dioctyl adipate 69.61
    dimethyl sulfate 139.41
    ethyl butyrate 56.33
    methyl lactate 86.23
    butyl lactate 92.25
    diethyl carbonate 42.16
    propanediol butyl ether 104.07
    triethyl orthoformate 53.11
    p-tert-butyltoluene 27.03
    methyl 4-tert-butylbenzoate 114.93
    morpholine 255.73
    tert-butylamine 27.28
    n-dodecanol 21.46
    dimethoxymethane 190.36
    ethylene carbonate 123.34
    cyrene 145.38
    2-ethoxyethyl acetate 164.45
    2-ethylhexyl acetate 85.9
    1,2,4-trichlorobenzene 171.95
    4-methylpyridine 219.02
    dibutyl ether 39.08
    2,6-dimethyl-4-heptanol 24.02
    DEF 145.2
    dimethyl isosorbide 199.0
    tetrachloroethylene 201.2
    eugenol 118.54
    triacetin 117.25
    span 80 100.53
    1,4-butanediol 38.48
    1,1-dichloroethane 170.56
    2-methyl-1-pentanol 74.78
    methyl formate 94.92
    2-methyl-1-butanol 67.29
    n-decane 4.63
    butyronitrile 62.99
    3,7-dimethyl-1-octanol 37.65
    1-chlorooctane 27.48
    1-chlorotetradecane 11.35
    n-nonane 3.75
    undecane 3.41
    tert-butylcyclohexane 5.82
    cyclooctane 2.31
    cyclopentanol 98.27
    tetrahydropyran 156.51
    tert-amyl methyl ether 51.37
    2,5,8-trioxanonane 149.59
    1-hexene 26.43
    2-isopropoxyethanol 101.08
    2,2,2-trifluoroethanol 54.75
    methyl butyrate 82.17

    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