Hydnocarpin

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  • Identifiers

    CAS number
    51419-48-8

    Molecular formula
    C25H20O9

    SMILES
    COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)CO)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.14%
    Phenolic 44.87%
    Vanilla 44.17%
    Sweet 29.94%
    Burnt 28.54%
    Creamy 28.31%
    Spicy 26.63%
    Balsamic 26.28%
    Milky 25.12%
    Smoky 24.48%

     

    Flavor
    Bitter 91.54%
    Bland 25.39%
    Sweet-like 22.38%
    Odorless 22.15%
    Parsley 20.52%
    Cedarleaf 20.06%
    Eugenol 19.96%
    Lovage 19.94%
    Ethyl benzoate 19.01%
    Curry 18.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.79 (weak base)

    Molecular weight
    464.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1760°C

    Flash point

    • 275.52 ˚C est.

  • Synonyms

    • RefChem:923106
    • 5,7-dihydroxy-2-((2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one
    • 5,7-dihydroxy-2-(2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one
    • 51419-48-8
    • Hydnocarpin
    • Hydnocarpin D
    • CHEMBL89401
    • SCHEMBL29636176
    • 51419-48-8

  • Applications

    Hydnocarpin (CAS 51419-48-8) is a natural product isolated from Chaulmoogra species and is primarily used as a research chemical and a synthetic intermediate. In practice, it is commonly evaluated for biological activity in pharmaceutical R&D and considered as a potential active component for cosmetic and skin-care formulations. It also serves as a building block or intermediate in the synthesis of related natural-product derivatives. It is studied for antioxidant and antimicrobial properties in laboratory research. Additional exploration may occur in agricultural or bioscience contexts as a candidate for experimental applications, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.67
    methanol 1.73
    isopropanol 0.68
    water 0.01
    ethyl acetate 0.34
    n-propanol 1.5
    acetone 1.2
    n-butanol 0.87
    acetonitrile 0.28
    DMF 33.82
    toluene 0.06
    isobutanol 0.6
    1,4-dioxane 4.44
    methyl acetate 0.79
    THF 10.72
    2-butanone 1.92
    n-pentanol 0.43
    sec-butanol 0.85
    n-hexane 0.0
    ethylene glycol 4.42
    NMP 19.93
    cyclohexane 0.0
    DMSO 78.45
    n-butyl acetate 0.2
    n-octanol 0.4
    chloroform 0.1
    n-propyl acetate 0.3
    acetic acid 4.04
    dichloromethane 0.15
    cyclohexanone 2.51
    propylene glycol 5.05
    isopropyl acetate 0.23
    DMAc 31.57
    2-ethoxyethanol 9.79
    isopentanol 0.45
    n-heptane 0.01
    ethyl formate 0.7
    1,2-dichloroethane 0.19
    n-hexanol 0.15
    2-methoxyethanol 26.13
    isobutyl acetate 0.14
    tetrachloromethane 0.01
    n-pentyl acetate 0.46
    transcutol 15.58
    n-heptanol 0.37
    ethylbenzene 0.02
    MIBK 0.33
    2-propoxyethanol 5.79
    tert-butanol 0.46
    MTBE 0.2
    2-butoxyethanol 3.62
    propionic acid 1.84
    o-xylene 0.04
    formic acid 5.8
    diethyl ether 0.25
    m-xylene 0.04
    p-xylene 0.03
    chlorobenzene 0.04
    dimethyl carbonate 1.28
    n-octane 0.01
    formamide 8.68
    cyclopentanone 5.86
    2-pentanone 0.79
    anisole 0.24
    cyclopentyl methyl ether 0.7
    gamma-butyrolactone 6.9
    1-methoxy-2-propanol 12.55
    pyridine 1.62
    3-pentanone 0.57
    furfural 5.58
    n-dodecane 0.01
    diethylene glycol 9.12
    diisopropyl ether 0.04
    tert-amyl alcohol 0.53
    acetylacetone 1.59
    n-hexadecane 0.01
    acetophenone 0.39
    methyl propionate 1.08
    isopentyl acetate 0.22
    trichloroethylene 0.45
    n-nonanol 0.47
    cyclohexanol 0.52
    benzyl alcohol 0.55
    2-ethylhexanol 0.12
    isooctanol 0.28
    dipropyl ether 0.32
    1,2-dichlorobenzene 0.04
    ethyl lactate 1.1
    propylene carbonate 1.06
    n-methylformamide 9.47
    2-pentanol 0.3
    n-pentane 0.0
    1-propoxy-2-propanol 3.19
    1-methoxy-2-propyl acetate 1.24
    2-(2-methoxypropoxy) propanol 4.23
    mesitylene 0.02
    ε-caprolactone 2.35
    p-cymene 0.03
    epichlorohydrin 6.93
    1,1,1-trichloroethane 0.03
    2-aminoethanol 5.65
    morpholine-4-carbaldehyde 24.25
    sulfolane 21.77
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.46
    n-hexyl acetate 0.64
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 5.59
    sec-butyl acetate 0.16
    tert-butyl acetate 0.31
    decalin 0.0
    glycerin 18.25
    diglyme 12.18
    acrylic acid 3.01
    isopropyl myristate 0.23
    n-butyric acid 1.32
    acetyl acetate 0.27
    di(2-ethylhexyl) phthalate 0.46
    ethyl propionate 0.31
    nitromethane 9.92
    1,2-diethoxyethane 1.37
    benzonitrile 0.22
    trioctyl phosphate 0.33
    1-bromopropane 0.06
    gamma-valerolactone 24.06
    n-decanol 0.3
    triethyl phosphate 0.31
    4-methyl-2-pentanol 0.12
    propionitrile 0.39
    vinylene carbonate 1.08
    1,1,2-trichlorotrifluoroethane 12.25
    DMS 0.65
    cumene 0.02
    2-octanol 0.22
    2-hexanone 0.47
    octyl acetate 0.4
    limonene 0.05
    1,2-dimethoxyethane 9.42
    ethyl orthosilicate 0.27
    tributyl phosphate 0.33
    diacetone alcohol 2.06
    N,N-dimethylaniline 0.19
    acrylonitrile 0.99
    aniline 0.31
    1,3-propanediol 6.68
    bromobenzene 0.02
    dibromomethane 0.06
    1,1,2,2-tetrachloroethane 0.44
    2-methyl-cyclohexyl acetate 0.26
    tetrabutyl urea 0.78
    diisobutyl methanol 0.09
    2-phenylethanol 0.32
    styrene 0.03
    dioctyl adipate 0.68
    dimethyl sulfate 4.03
    ethyl butyrate 0.31
    methyl lactate 4.03
    butyl lactate 1.2
    diethyl carbonate 0.22
    propanediol butyl ether 4.16
    triethyl orthoformate 0.5
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 1.11
    morpholine 9.18
    tert-butylamine 0.09
    n-dodecanol 0.19
    dimethoxymethane 9.33
    ethylene carbonate 0.76
    cyrene 5.16
    2-ethoxyethyl acetate 1.45
    2-ethylhexyl acetate 0.14
    1,2,4-trichlorobenzene 0.1
    4-methylpyridine 0.62
    dibutyl ether 0.33
    2,6-dimethyl-4-heptanol 0.09
    DEF 2.48
    dimethyl isosorbide 5.54
    tetrachloroethylene 0.24
    eugenol 1.62
    triacetin 1.61
    span 80 2.76
    1,4-butanediol 1.93
    1,1-dichloroethane 0.06
    2-methyl-1-pentanol 0.27
    methyl formate 5.56
    2-methyl-1-butanol 0.59
    n-decane 0.01
    butyronitrile 0.25
    3,7-dimethyl-1-octanol 0.26
    1-chlorooctane 0.07
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 1.12
    tetrahydropyran 1.01
    tert-amyl methyl ether 0.27
    2,5,8-trioxanonane 8.01
    1-hexene 0.02
    2-isopropoxyethanol 3.25
    2,2,2-trifluoroethanol 1.66
    methyl butyrate 0.57

    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