(1E,2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-indene-4,6-diol

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  • Identifiers

    CAS number
    149418-37-1

    Molecular formula
    C28H22O6

    SMILES
    C1=CC(=CC=C1/C=C/2\[C@@H]([C@H](C3=C2C=C(C=C3O)O)C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 60.76%
    Odorless 41.64%
    Medicinal 30.55%
    Spicy 29.91%
    Fruity 28.3%
    Burnt 27.22%
    Animal 25.38%
    Smoky 24.82%
    Balsamic 21.86%
    Woody 20.74%

     

    Flavor
    Bitter 95.68%
    Odorless 21.28%
    Very strong 20.01%
    Cedarleaf 19.73%
    Nitrile 19.66%
    Indole 19.49%
    Sweet-like 19.26%
    Lovage 18.3%
    Rotten 18.22%
    Moth ball 18.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    11.02 (strong base)

    Molecular weight
    454.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1264°C

    Flash point

    • 322.04 ˚C est.

  • Synonyms

    • Ampelopsin D
    • SCHEMBL3652230
    • DTXSID301317950
    • (1E,2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-indene-4,6-diol
    • 149418-37-1
    • 149418-37-1

  • Applications

    Chemical name: (1E,2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-indene-4,6-diol (CAS 149418-37-1) is a polyphenolic dihydroindene derivative with multiple phenolic groups, and is commonly evaluated as an antioxidant and stabilizer in polymer, coating, and ink formulations; it may be used in cosmetics/personal care as an antioxidant and formulation stabilizer; it can serve as an intermediate or building block in pharmaceutical or fine chemical synthesis; it can function as a research reference material or screening intermediate in chemical development; and it may be explored as a functional additive to improve formulation stability in cleaning or household products, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.17
    methanol 13.07
    isopropanol 5.19
    water 0.02
    ethyl acetate 5.26
    n-propanol 9.64
    acetone 12.68
    n-butanol 6.06
    acetonitrile 3.12
    DMF 63.75
    toluene 0.24
    isobutanol 3.05
    1,4-dioxane 11.91
    methyl acetate 7.1
    THF 50.72
    2-butanone 17.27
    n-pentanol 2.73
    sec-butanol 4.52
    n-hexane 0.01
    ethylene glycol 6.78
    NMP 18.95
    cyclohexane 0.01
    DMSO 133.82
    n-butyl acetate 3.04
    n-octanol 1.72
    chloroform 0.46
    n-propyl acetate 2.87
    acetic acid 20.49
    dichloromethane 0.21
    cyclohexanone 9.14
    propylene glycol 16.64
    isopropyl acetate 3.41
    DMAc 71.32
    2-ethoxyethanol 28.15
    isopentanol 2.91
    n-heptane 0.02
    ethyl formate 6.46
    1,2-dichloroethane 0.45
    n-hexanol 1.74
    2-methoxyethanol 83.2
    isobutyl acetate 1.18
    tetrachloromethane 0.08
    n-pentyl acetate 3.34
    transcutol 38.19
    n-heptanol 1.82
    ethylbenzene 0.15
    MIBK 3.19
    2-propoxyethanol 28.64
    tert-butanol 2.95
    MTBE 1.64
    2-butoxyethanol 14.65
    propionic acid 10.07
    o-xylene 0.17
    formic acid 13.34
    diethyl ether 1.87
    m-xylene 0.16
    p-xylene 0.13
    chlorobenzene 0.21
    dimethyl carbonate 6.26
    n-octane 0.01
    formamide 23.24
    cyclopentanone 23.42
    2-pentanone 8.71
    anisole 1.8
    cyclopentyl methyl ether 2.89
    gamma-butyrolactone 22.39
    1-methoxy-2-propanol 56.57
    pyridine 7.43
    3-pentanone 4.31
    furfural 15.87
    n-dodecane 0.01
    diethylene glycol 24.28
    diisopropyl ether 0.22
    tert-amyl alcohol 3.42
    acetylacetone 14.27
    n-hexadecane 0.02
    acetophenone 2.55
    methyl propionate 8.28
    isopentyl acetate 2.7
    trichloroethylene 1.6
    n-nonanol 1.98
    cyclohexanol 1.74
    benzyl alcohol 3.21
    2-ethylhexanol 0.88
    isooctanol 1.4
    dipropyl ether 1.59
    1,2-dichlorobenzene 0.2
    ethyl lactate 5.8
    propylene carbonate 5.95
    n-methylformamide 27.79
    2-pentanol 2.04
    n-pentane 0.01
    1-propoxy-2-propanol 18.69
    1-methoxy-2-propyl acetate 11.77
    2-(2-methoxypropoxy) propanol 13.75
    mesitylene 0.08
    ε-caprolactone 10.48
    p-cymene 0.18
    epichlorohydrin 18.98
    1,1,1-trichloroethane 0.28
    2-aminoethanol 15.59
    morpholine-4-carbaldehyde 35.51
    sulfolane 40.07
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 6.32
    n-hexyl acetate 4.37
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 19.93
    sec-butyl acetate 1.68
    tert-butyl acetate 3.74
    decalin 0.01
    glycerin 37.87
    diglyme 29.3
    acrylic acid 10.98
    isopropyl myristate 1.58
    n-butyric acid 12.14
    acetyl acetate 2.94
    di(2-ethylhexyl) phthalate 2.21
    ethyl propionate 3.2
    nitromethane 40.14
    1,2-diethoxyethane 5.88
    benzonitrile 1.38
    trioctyl phosphate 1.87
    1-bromopropane 0.19
    gamma-valerolactone 62.15
    n-decanol 1.26
    triethyl phosphate 1.69
    4-methyl-2-pentanol 0.88
    propionitrile 3.46
    vinylene carbonate 5.25
    1,1,2-trichlorotrifluoroethane 33.1
    DMS 3.43
    cumene 0.09
    2-octanol 1.07
    2-hexanone 3.73
    octyl acetate 2.4
    limonene 0.25
    1,2-dimethoxyethane 30.21
    ethyl orthosilicate 1.45
    tributyl phosphate 1.95
    diacetone alcohol 13.42
    N,N-dimethylaniline 0.93
    acrylonitrile 6.83
    aniline 1.76
    1,3-propanediol 24.99
    bromobenzene 0.1
    dibromomethane 0.11
    1,1,2,2-tetrachloroethane 1.82
    2-methyl-cyclohexyl acetate 1.99
    tetrabutyl urea 3.54
    diisobutyl methanol 0.58
    2-phenylethanol 2.7
    styrene 0.15
    dioctyl adipate 3.3
    dimethyl sulfate 12.47
    ethyl butyrate 2.84
    methyl lactate 18.84
    butyl lactate 7.19
    diethyl carbonate 1.64
    propanediol butyl ether 14.91
    triethyl orthoformate 2.91
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 5.23
    morpholine 27.89
    tert-butylamine 0.54
    n-dodecanol 0.79
    dimethoxymethane 32.93
    ethylene carbonate 3.96
    cyrene 12.52
    2-ethoxyethyl acetate 7.73
    2-ethylhexyl acetate 1.52
    1,2,4-trichlorobenzene 0.48
    4-methylpyridine 3.25
    dibutyl ether 1.48
    2,6-dimethyl-4-heptanol 0.58
    DEF 11.25
    dimethyl isosorbide 16.49
    tetrachloroethylene 1.01
    eugenol 6.83
    triacetin 6.33
    span 80 10.29
    1,4-butanediol 5.06
    1,1-dichloroethane 0.29
    2-methyl-1-pentanol 1.72
    methyl formate 16.29
    2-methyl-1-butanol 3.16
    n-decane 0.03
    butyronitrile 2.92
    3,7-dimethyl-1-octanol 1.4
    1-chlorooctane 0.24
    1-chlorotetradecane 0.09
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 3.43
    tetrahydropyran 4.99
    tert-amyl methyl ether 1.73
    2,5,8-trioxanonane 21.42
    1-hexene 0.08
    2-isopropoxyethanol 10.54
    2,2,2-trifluoroethanol 4.65
    methyl butyrate 4.68

    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