Hypophyllanthin

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  • Identifiers

    CAS number
    33676-00-5

    Molecular formula
    C24H30O7

    SMILES
    COC[C@@H]1CC2=CC(=C3C(=C2[C@@H]([C@H]1COC)C4=CC(=C(C=C4)OC)OC)OCO3)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 52.76%
    Spicy 41.96%
    Vanilla 40.56%
    Sweet 32.57%
    Powdery 30.38%
    Woody 28.71%
    Balsamic 27.8%
    Fresh 24.3%
    Fruity 23.85%
    Phenolic 23.61%

     

    Flavor
    Bitter 80.43%
    Bland 23.46%
    Parsley 22.0%
    Sweet-like 21.49%
    Cedarleaf 21.11%
    Eugenol 20.0%
    Carrot 19.79%
    Green pepper 19.64%
    Lovage 19.47%
    Ripe apricot 19.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    5.73 (weak acid)

    Molecular weight
    430.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    673°C

    Flash point

    • 202.98 ˚C est.

  • Synonyms

    • Hypophyllanthin
    • 33676-00-5
    • (7R,8R,9S)-9-(3,4-dimethoxyphenyl)-4-methoxy-7,8-bis(methoxymethyl)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
    • 22ZZ21E33P
    • NSC-619044
    • (7R,8R,9S)-9-(3,4-dimethoxyphenyl)-4-methoxy-7,8-bis(methoxymethyl)-6,7,8,9-tetrahydronaphtho(1,2-d)(1,3)dioxole
    • (7R,8R,9S)-9-(3,4-dimethoxyphenyl)-4-methoxy-7,8-bis(methoxymethyl)-6,7,8,9-tetrahydrobenzo(g)(1,3)benzodioxole
    • RefChem:39190
    • Naphtho(1,2-d)-1,3-dioxole, 9-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-4-methoxy-7,8-bis(methoxymethyl)-, (7R,8R,9S)-
    • NSC 619044
    • CHEMBL510130
    • (7R,9S)-9-(3,4-dimethoxyphenyl)-4-methoxy-7,8-bis(methoxymethyl)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
    • UNII-22ZZ21E33P
    • SCHEMBL29433962
    • SCHEMBL29433966
    • DTXSID50187355
    • LBJCUHLNHSKZBW-XGHQBKJUSA-N
    • BDBM50292475
    • AKOS032948633
    • FH72062
    • DA-74369
    • A1-06838
    • Q27253693
    • HYPOPHYLLANTHIN (CONSTITUENT OF PHYLLANTHUS AMARUS) [DSC]
    • (7R,8R,9S)-9-(3,4-Dimethoxyphenyl)-4-methoxy-7,8-bis(methoxymethyl)-6,7,8,9-tetrahydro-2H-naphtho[1,2-d][1,3]dioxole
    • NAPHTHO(1,2-D)-1,3-DIOXOLE, 9-(3,4-DIMETHOXYPHENYL)-6,7,8,9-TETRAHYDRO-4-METHOXY-7,8-BIS(METHOXYMETHYL)-, (7R,8R,9S)-REL-
    • Naphtho(1,2-d)-1,3-dioxole, 9-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-4-methoxy-7,8-bis(methoxymethyl)-, (7S,8S,9R)-
    • 33676-00-5

  • Applications

    Hypophyllanthin (CAS 33676-00-5) is a natural compound isolated from Phyllanthus spp. and is viewed as both a potential synthetic building block and a candidate for evaluation in various industries; in cosmetics and personal care, it may serve as an antioxidant or stabilizer in formulations; in coatings and inks, it is considered as an antioxidant additive and stabilizer for color systems and plastics; in the field of polymers and composites, it is evaluated as a stabilizer or additive for plastic systems; in pharmaceutical research, it is explored as a lignan-based scaffold for the synthesis of bioactive derivatives; and in industrial manufacturing, its lignan framework provides a basis for developing more complex lignan-like compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.13
    methanol 16.87
    isopropanol 9.1
    water 1.88
    ethyl acetate 42.39
    n-propanol 11.74
    acetone 45.66
    n-butanol 11.33
    acetonitrile 33.75
    DMF 49.69
    toluene 6.9
    isobutanol 10.34
    1,4-dioxane 37.9
    methyl acetate 40.78
    THF 38.02
    2-butanone 29.71
    n-pentanol 13.14
    sec-butanol 8.97
    n-hexane 0.81
    ethylene glycol 13.98
    NMP 64.65
    cyclohexane 1.9
    DMSO 71.32
    n-butyl acetate 27.56
    n-octanol 10.12
    chloroform 132.98
    n-propyl acetate 30.25
    acetic acid 119.2
    dichloromethane 123.64
    cyclohexanone 51.68
    propylene glycol 6.67
    isopropyl acetate 30.99
    DMAc 84.7
    2-ethoxyethanol 46.11
    isopentanol 14.13
    n-heptane 1.31
    ethyl formate 37.06
    1,2-dichloroethane 67.12
    n-hexanol 13.29
    2-methoxyethanol 45.72
    isobutyl acetate 25.42
    tetrachloromethane 28.3
    n-pentyl acetate 29.59
    transcutol 64.03
    n-heptanol 13.4
    ethylbenzene 5.85
    MIBK 24.21
    2-propoxyethanol 42.69
    tert-butanol 13.43
    MTBE 10.89
    2-butoxyethanol 39.02
    propionic acid 39.24
    o-xylene 8.15
    formic acid 65.1
    diethyl ether 14.4
    m-xylene 7.33
    p-xylene 8.93
    chlorobenzene 21.59
    dimethyl carbonate 46.21
    n-octane 1.04
    formamide 70.27
    cyclopentanone 54.77
    2-pentanone 26.85
    anisole 13.67
    cyclopentyl methyl ether 18.44
    gamma-butyrolactone 79.62
    1-methoxy-2-propanol 31.08
    pyridine 30.35
    3-pentanone 25.51
    furfural 81.7
    n-dodecane 1.01
    diethylene glycol 49.69
    diisopropyl ether 6.25
    tert-amyl alcohol 12.83
    acetylacetone 59.87
    n-hexadecane 1.14
    acetophenone 30.57
    methyl propionate 36.63
    isopentyl acetate 27.16
    trichloroethylene 143.77
    n-nonanol 11.23
    cyclohexanol 15.35
    benzyl alcohol 23.37
    2-ethylhexanol 11.57
    isooctanol 13.58
    dipropyl ether 10.82
    1,2-dichlorobenzene 31.12
    ethyl lactate 29.49
    propylene carbonate 57.88
    n-methylformamide 36.6
    2-pentanol 8.16
    n-pentane 0.97
    1-propoxy-2-propanol 27.69
    1-methoxy-2-propyl acetate 41.2
    2-(2-methoxypropoxy) propanol 34.44
    mesitylene 5.51
    ε-caprolactone 55.5
    p-cymene 9.02
    epichlorohydrin 85.67
    1,1,1-trichloroethane 66.8
    2-aminoethanol 13.66
    morpholine-4-carbaldehyde 70.25
    sulfolane 91.96
    2,2,4-trimethylpentane 1.15
    2-methyltetrahydrofuran 22.64
    n-hexyl acetate 25.71
    isooctane 0.75
    2-(2-butoxyethoxy)ethanol 37.43
    sec-butyl acetate 22.05
    tert-butyl acetate 29.87
    decalin 1.66
    glycerin 23.72
    diglyme 70.33
    acrylic acid 56.1
    isopropyl myristate 11.64
    n-butyric acid 46.16
    acetyl acetate 64.63
    di(2-ethylhexyl) phthalate 20.13
    ethyl propionate 26.67
    nitromethane 158.67
    1,2-diethoxyethane 24.01
    benzonitrile 29.68
    trioctyl phosphate 14.76
    1-bromopropane 19.55
    gamma-valerolactone 82.95
    n-decanol 8.29
    triethyl phosphate 23.91
    4-methyl-2-pentanol 8.71
    propionitrile 22.09
    vinylene carbonate 68.85
    1,1,2-trichlorotrifluoroethane 128.36
    DMS 37.21
    cumene 6.37
    2-octanol 8.46
    2-hexanone 25.04
    octyl acetate 15.74
    limonene 10.06
    1,2-dimethoxyethane 45.63
    ethyl orthosilicate 20.27
    tributyl phosphate 16.94
    diacetone alcohol 36.12
    N,N-dimethylaniline 12.69
    acrylonitrile 34.79
    aniline 14.51
    1,3-propanediol 23.62
    bromobenzene 21.76
    dibromomethane 67.33
    1,1,2,2-tetrachloroethane 102.34
    2-methyl-cyclohexyl acetate 26.64
    tetrabutyl urea 21.44
    diisobutyl methanol 8.34
    2-phenylethanol 24.49
    styrene 6.48
    dioctyl adipate 22.71
    dimethyl sulfate 76.67
    ethyl butyrate 25.34
    methyl lactate 36.16
    butyl lactate 28.45
    diethyl carbonate 25.2
    propanediol butyl ether 24.79
    triethyl orthoformate 21.42
    p-tert-butyltoluene 7.82
    methyl 4-tert-butylbenzoate 38.56
    morpholine 35.51
    tert-butylamine 6.71
    n-dodecanol 6.33
    dimethoxymethane 46.62
    ethylene carbonate 59.91
    cyrene 54.3
    2-ethoxyethyl acetate 47.82
    2-ethylhexyl acetate 22.66
    1,2,4-trichlorobenzene 38.68
    4-methylpyridine 24.83
    dibutyl ether 9.03
    2,6-dimethyl-4-heptanol 8.34
    DEF 38.83
    dimethyl isosorbide 56.8
    tetrachloroethylene 82.58
    eugenol 37.28
    triacetin 46.61
    span 80 25.2
    1,4-butanediol 15.2
    1,1-dichloroethane 44.77
    2-methyl-1-pentanol 16.15
    methyl formate 43.87
    2-methyl-1-butanol 12.36
    n-decane 1.55
    butyronitrile 19.73
    3,7-dimethyl-1-octanol 10.03
    1-chlorooctane 6.72
    1-chlorotetradecane 3.37
    n-nonane 1.26
    undecane 1.19
    tert-butylcyclohexane 1.32
    cyclooctane 0.95
    cyclopentanol 14.8
    tetrahydropyran 19.95
    tert-amyl methyl ether 11.35
    2,5,8-trioxanonane 53.28
    1-hexene 3.15
    2-isopropoxyethanol 36.94
    2,2,2-trifluoroethanol 104.02
    methyl butyrate 32.18

    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