Justiciresinol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    136051-41-7

    Molecular formula
    C21H26O7

    SMILES
    COC1=CC(=CC(=C1O)OC)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 71.83%
    Sweet 49.94%
    Spicy 47.81%
    Balsamic 43.37%
    Phenolic 39.58%
    Creamy 36.97%
    Odorless 35.96%
    Smoky 35.08%
    Powdery 33.86%
    Floral 29.01%

     

    Flavor
    Bitter 68.51%
    Bland 28.41%
    Vanilla 24.53%
    Sweet-like 23.68%
    Odorless 23.21%
    Eugenol 22.89%
    Parsley 22.48%
    Spice 22.41%
    Smoky 21.99%
    Mild 21.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.51 (weak base)

    Molecular weight
    390.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    909°C

    Flash point

    • 217.39 ˚C est.

  • Synonyms

    • Justiciresinol
    • 136051-41-7
    • DTXSID50159638
    • 2-(4-Hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-tetrahydrofuran-3-methanol
    • 4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenol
    • 3-Furanmethanol, tetrahydro-4-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-2-(4-hydroxy-3-methoxyphenyl)-, (2S-(2alpha,3beta,4beta))-
    • 4-(((3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl)methyl)-2,6-dimethoxyphenol
    • 4-{[(3R,4R,5S)-5-(4-Hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl}-2,6-dimethoxyphenol
    • RefChem:150659
    • DTXCID8082129
    • 4-(((3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)tetrahydrofuran-3-yl)methyl)-2,6-dimethoxyphenol
    • CHEMBL519006
    • orb1682281
    • AKOS040761931
    • FS-7767
    • CS-0081253
    • 136051-41-7

  • Applications

    Justiciresinol (CAS 136051-41-7) is a lignan used as a chemical intermediate in the synthesis of lignan derivatives for pharmaceutical and agrochemical research. It is also evaluated as a natural antioxidant and stabilizer in cosmetics and personal care products. In industrial manufacturing, it can serve as a chiral building block in organic synthesis and as a functional additive for polymers and coatings to improve aging resistance. The scaffold is used as a research reagent in drug discovery and agrochemical programs to explore structure-activity relationships. In addition, it is investigated as a starting material for preparing related bioactive lignans, supporting development of specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.45
    methanol 16.39
    isopropanol 7.18
    water 0.47
    ethyl acetate 10.9
    n-propanol 7.99
    acetone 25.91
    n-butanol 6.1
    acetonitrile 9.15
    DMF 38.61
    toluene 2.05
    isobutanol 4.69
    1,4-dioxane 24.28
    methyl acetate 10.56
    THF 63.7
    2-butanone 12.62
    n-pentanol 5.03
    sec-butanol 4.99
    n-hexane 0.17
    ethylene glycol 13.52
    NMP 26.53
    cyclohexane 0.47
    DMSO 211.17
    n-butyl acetate 3.98
    n-octanol 5.07
    chloroform 20.08
    n-propyl acetate 4.92
    acetic acid 66.04
    dichloromethane 19.3
    cyclohexanone 21.9
    propylene glycol 8.8
    isopropyl acetate 7.92
    DMAc 59.75
    2-ethoxyethanol 28.8
    isopentanol 5.75
    n-heptane 0.4
    ethyl formate 8.6
    1,2-dichloroethane 13.02
    n-hexanol 4.82
    2-methoxyethanol 45.51
    isobutyl acetate 3.82
    tetrachloromethane 2.79
    n-pentyl acetate 7.23
    transcutol 44.65
    n-heptanol 6.44
    ethylbenzene 1.4
    MIBK 8.46
    2-propoxyethanol 24.26
    tert-butanol 10.71
    MTBE 4.86
    2-butoxyethanol 19.84
    propionic acid 13.32
    o-xylene 2.05
    formic acid 43.84
    diethyl ether 5.62
    m-xylene 1.81
    p-xylene 1.76
    chlorobenzene 3.22
    dimethyl carbonate 17.44
    n-octane 0.35
    formamide 59.36
    cyclopentanone 38.24
    2-pentanone 10.34
    anisole 4.66
    cyclopentyl methyl ether 10.15
    gamma-butyrolactone 43.44
    1-methoxy-2-propanol 28.15
    pyridine 11.96
    3-pentanone 7.92
    furfural 29.92
    n-dodecane 0.32
    diethylene glycol 33.62
    diisopropyl ether 1.8
    tert-amyl alcohol 7.0
    acetylacetone 27.67
    n-hexadecane 0.37
    acetophenone 8.14
    methyl propionate 11.55
    isopentyl acetate 5.43
    trichloroethylene 28.03
    n-nonanol 5.6
    cyclohexanol 6.84
    benzyl alcohol 7.24
    2-ethylhexanol 3.3
    isooctanol 5.8
    dipropyl ether 3.97
    1,2-dichlorobenzene 4.7
    ethyl lactate 8.57
    propylene carbonate 15.45
    n-methylformamide 21.63
    2-pentanol 3.68
    n-pentane 0.21
    1-propoxy-2-propanol 13.47
    1-methoxy-2-propyl acetate 13.33
    2-(2-methoxypropoxy) propanol 18.31
    mesitylene 1.31
    ε-caprolactone 16.81
    p-cymene 1.94
    epichlorohydrin 42.24
    1,1,1-trichloroethane 8.18
    2-aminoethanol 13.48
    morpholine-4-carbaldehyde 34.6
    sulfolane 71.55
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 12.52
    n-hexyl acetate 8.01
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 23.54
    sec-butyl acetate 3.61
    tert-butyl acetate 11.22
    decalin 0.33
    glycerin 30.89
    diglyme 43.52
    acrylic acid 20.88
    isopropyl myristate 3.96
    n-butyric acid 14.56
    acetyl acetate 14.74
    di(2-ethylhexyl) phthalate 5.85
    ethyl propionate 5.11
    nitromethane 92.96
    1,2-diethoxyethane 9.96
    benzonitrile 6.19
    trioctyl phosphate 4.86
    1-bromopropane 3.26
    gamma-valerolactone 46.96
    n-decanol 3.98
    triethyl phosphate 5.54
    4-methyl-2-pentanol 3.38
    propionitrile 6.35
    vinylene carbonate 15.83
    1,1,2-trichlorotrifluoroethane 53.72
    DMS 11.04
    cumene 1.22
    2-octanol 3.86
    2-hexanone 6.03
    octyl acetate 5.29
    limonene 2.54
    1,2-dimethoxyethane 28.2
    ethyl orthosilicate 5.2
    tributyl phosphate 4.61
    diacetone alcohol 20.8
    N,N-dimethylaniline 4.44
    acrylonitrile 11.51
    aniline 5.08
    1,3-propanediol 20.92
    bromobenzene 2.82
    dibromomethane 9.42
    1,1,2,2-tetrachloroethane 21.44
    2-methyl-cyclohexyl acetate 6.54
    tetrabutyl urea 7.17
    diisobutyl methanol 2.79
    2-phenylethanol 7.96
    styrene 1.39
    dioctyl adipate 7.17
    dimethyl sulfate 36.47
    ethyl butyrate 4.51
    methyl lactate 17.36
    butyl lactate 9.49
    diethyl carbonate 4.47
    propanediol butyl ether 15.84
    triethyl orthoformate 5.46
    p-tert-butyltoluene 1.85
    methyl 4-tert-butylbenzoate 15.09
    morpholine 24.21
    tert-butylamine 3.39
    n-dodecanol 2.87
    dimethoxymethane 40.09
    ethylene carbonate 12.93
    cyrene 24.81
    2-ethoxyethyl acetate 14.19
    2-ethylhexyl acetate 3.76
    1,2,4-trichlorobenzene 6.5
    4-methylpyridine 7.44
    dibutyl ether 3.69
    2,6-dimethyl-4-heptanol 2.79
    DEF 13.96
    dimethyl isosorbide 29.0
    tetrachloroethylene 15.8
    eugenol 15.11
    triacetin 16.17
    span 80 13.72
    1,4-butanediol 9.22
    1,1-dichloroethane 6.97
    2-methyl-1-pentanol 5.05
    methyl formate 21.88
    2-methyl-1-butanol 4.87
    n-decane 0.56
    butyronitrile 4.66
    3,7-dimethyl-1-octanol 4.33
    1-chlorooctane 2.11
    1-chlorotetradecane 1.0
    n-nonane 0.45
    undecane 0.41
    tert-butylcyclohexane 0.26
    cyclooctane 0.25
    cyclopentanol 8.67
    tetrahydropyran 10.74
    tert-amyl methyl ether 4.26
    2,5,8-trioxanonane 33.27
    1-hexene 0.68
    2-isopropoxyethanol 17.24
    2,2,2-trifluoroethanol 36.29
    methyl butyrate 6.28

    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