Taxiresinol

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  • Identifiers

    CAS number
    40951-69-7

    Molecular formula
    C19H22O6

    SMILES
    COC1=C(C=CC(=C1)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 62.82%
    Odorless 47.43%
    Phenolic 44.51%
    Sweet 40.76%
    Spicy 39.61%
    Balsamic 35.41%
    Smoky 34.51%
    Creamy 32.47%
    Burnt 28.25%
    Milky 27.03%

     

    Flavor
    Bitter 74.57%
    Sweet 33.04%
    Mild 24.56%
    Odorless 23.79%
    Sweet-like 23.66%
    Bland 22.72%
    Vanilla 22.62%
    Eugenol 20.98%
    Smoked 20.73%
    Parsley 20.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    9.4 (weak base)

    Molecular weight
    346.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    766°C

    Flash point

    • 239.71 ˚C est.

  • Synonyms

    • Taxiresinol
    • 40951-69-7
    • CHEBI:70197
    • 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol
    • 4-((2S,3R,4R)-4-((4-hydroxy-3-methoxyphenyl)methyl)-3-(hydroxymethyl)oxolan-2-yl)benzene-1,2-diol
    • RefChem:187586
    • (+)-Taxiresinol
    • 4-[Tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-hydroxymethylfuran-2-yl]-1,2-benzenediol
    • CHEMBL1668114
    • orb1685053
    • SCHEMBL31237531
    • BDBM50335919
    • AKOS040760058
    • FS-9307
    • HY-14578
    • CS-0003456
    • Q27138536
    • 4-[(2S,3R,4R)-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]benzene-1,2-diol
    • 40951-69-7

  • Applications

    Taxiresinol (CAS 40951-69-7) is a lignan-type phenolic compound that may be used as an intermediate in organic synthesis, particularly for enabling pharmaceutical and agrochemical derivatives. It can serve as a chiral building block or scaffold for lignan-type natural products and related derivatives in research and development. In polymer and materials science, it may function as a precursor for functional polymers and advanced materials. In formulation contexts, it can be evaluated as a stabilizer or antioxidant additive for coatings, inks, and related polymer formulations. In research settings, it is of interest as a potential chiral building block and ligand for asymmetric catalysis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.88
    methanol 64.03
    isopropanol 13.27
    water 1.18
    ethyl acetate 12.5
    n-propanol 14.7
    acetone 27.37
    n-butanol 11.13
    acetonitrile 8.82
    DMF 50.42
    toluene 1.51
    isobutanol 5.29
    1,4-dioxane 28.26
    methyl acetate 9.19
    THF 135.49
    2-butanone 10.4
    n-pentanol 5.38
    sec-butanol 7.24
    n-hexane 0.07
    ethylene glycol 42.22
    NMP 14.79
    cyclohexane 0.21
    DMSO 421.94
    n-butyl acetate 2.53
    n-octanol 6.2
    chloroform 4.74
    n-propyl acetate 3.25
    acetic acid 94.47
    dichloromethane 3.96
    cyclohexanone 14.18
    propylene glycol 35.48
    isopropyl acetate 9.81
    DMAc 68.51
    2-ethoxyethanol 70.99
    isopentanol 8.98
    n-heptane 0.33
    ethyl formate 8.18
    1,2-dichloroethane 3.85
    n-hexanol 4.94
    2-methoxyethanol 170.97
    isobutyl acetate 2.26
    tetrachloromethane 0.88
    n-pentyl acetate 5.73
    transcutol 94.96
    n-heptanol 7.69
    ethylbenzene 0.85
    MIBK 10.28
    2-propoxyethanol 40.62
    tert-butanol 21.35
    MTBE 6.3
    2-butoxyethanol 26.07
    propionic acid 14.38
    o-xylene 1.41
    formic acid 103.75
    diethyl ether 6.1
    m-xylene 1.6
    p-xylene 0.92
    chlorobenzene 1.24
    dimethyl carbonate 19.26
    n-octane 0.3
    formamide 174.26
    cyclopentanone 32.24
    2-pentanone 12.82
    anisole 5.05
    cyclopentyl methyl ether 12.66
    gamma-butyrolactone 37.3
    1-methoxy-2-propanol 91.67
    pyridine 9.3
    3-pentanone 5.73
    furfural 26.24
    n-dodecane 0.27
    diethylene glycol 67.23
    diisopropyl ether 1.98
    tert-amyl alcohol 11.41
    acetylacetone 40.4
    n-hexadecane 0.31
    acetophenone 6.12
    methyl propionate 12.16
    isopentyl acetate 3.66
    trichloroethylene 10.37
    n-nonanol 6.9
    cyclohexanol 6.91
    benzyl alcohol 8.08
    2-ethylhexanol 2.8
    isooctanol 6.54
    dipropyl ether 3.97
    1,2-dichlorobenzene 1.83
    ethyl lactate 9.58
    propylene carbonate 10.95
    n-methylformamide 35.6
    2-pentanol 6.09
    n-pentane 0.1
    1-propoxy-2-propanol 20.95
    1-methoxy-2-propyl acetate 15.72
    2-(2-methoxypropoxy) propanol 25.19
    mesitylene 1.23
    ε-caprolactone 11.83
    p-cymene 1.27
    epichlorohydrin 44.48
    1,1,1-trichloroethane 2.76
    2-aminoethanol 48.76
    morpholine-4-carbaldehyde 42.0
    sulfolane 60.39
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 14.38
    n-hexyl acetate 7.58
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 37.2
    sec-butyl acetate 2.72
    tert-butyl acetate 15.04
    decalin 0.18
    glycerin 103.22
    diglyme 63.72
    acrylic acid 21.99
    isopropyl myristate 4.04
    n-butyric acid 18.89
    acetyl acetate 14.4
    di(2-ethylhexyl) phthalate 5.32
    ethyl propionate 4.25
    nitromethane 136.76
    1,2-diethoxyethane 13.25
    benzonitrile 3.86
    trioctyl phosphate 4.53
    1-bromopropane 1.13
    gamma-valerolactone 52.61
    n-decanol 4.97
    triethyl phosphate 4.04
    4-methyl-2-pentanol 5.21
    propionitrile 4.98
    vinylene carbonate 10.51
    1,1,2-trichlorotrifluoroethane 55.31
    DMS 9.07
    cumene 0.77
    2-octanol 4.69
    2-hexanone 3.79
    octyl acetate 5.31
    limonene 1.68
    1,2-dimethoxyethane 48.69
    ethyl orthosilicate 4.09
    tributyl phosphate 3.98
    diacetone alcohol 36.73
    N,N-dimethylaniline 3.99
    acrylonitrile 9.67
    aniline 4.71
    1,3-propanediol 73.57
    bromobenzene 0.98
    dibromomethane 1.76
    1,1,2,2-tetrachloroethane 8.27
    2-methyl-cyclohexyl acetate 4.47
    tetrabutyl urea 6.36
    diisobutyl methanol 3.15
    2-phenylethanol 7.44
    styrene 0.85
    dioctyl adipate 6.86
    dimethyl sulfate 34.93
    ethyl butyrate 3.37
    methyl lactate 27.14
    butyl lactate 9.62
    diethyl carbonate 3.27
    propanediol butyl ether 24.32
    triethyl orthoformate 4.72
    p-tert-butyltoluene 1.38
    methyl 4-tert-butylbenzoate 15.5
    morpholine 37.61
    tert-butylamine 4.62
    n-dodecanol 3.58
    dimethoxymethane 87.49
    ethylene carbonate 8.8
    cyrene 26.3
    2-ethoxyethyl acetate 14.27
    2-ethylhexyl acetate 2.16
    1,2,4-trichlorobenzene 2.82
    4-methylpyridine 5.14
    dibutyl ether 4.08
    2,6-dimethyl-4-heptanol 3.15
    DEF 14.23
    dimethyl isosorbide 34.79
    tetrachloroethylene 6.02
    eugenol 17.4
    triacetin 15.49
    span 80 18.11
    1,4-butanediol 19.04
    1,1-dichloroethane 2.14
    2-methyl-1-pentanol 4.97
    methyl formate 30.96
    2-methyl-1-butanol 6.35
    n-decane 0.51
    butyronitrile 4.22
    3,7-dimethyl-1-octanol 5.26
    1-chlorooctane 1.82
    1-chlorotetradecane 0.82
    n-nonane 0.41
    undecane 0.36
    tert-butylcyclohexane 0.15
    cyclooctane 0.16
    cyclopentanol 9.24
    tetrahydropyran 11.32
    tert-amyl methyl ether 5.8
    2,5,8-trioxanonane 49.98
    1-hexene 0.33
    2-isopropoxyethanol 28.53
    2,2,2-trifluoroethanol 34.32
    methyl butyrate 4.7

    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