Phyllanthin

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  • Identifiers

    CAS number
    10351-88-9

    Molecular formula
    C24H34O6

    SMILES
    COC[C@@H](CC1=CC(=C(C=C1)OC)OC)[C@H](CC2=CC(=C(C=C2)OC)OC)COC

    Safety labels

  • Odor profile

    Fragrance
    Floral 60.9%
    Woody 39.04%
    Spicy 36.55%
    Fruity 36.39%
    Vanilla 31.99%
    Balsamic 31.84%
    Powdery 31.72%
    Sweet 29.61%
    Rose 26.63%
    Fresh 24.64%

     

    Flavor
    Bitter 44.57%
    Mild 26.45%
    Fruity 25.26%
    Floral 22.54%
    Bland 21.99%
    Earthy 21.26%
    Parsley 21.1%
    Green pepper 20.41%
    Carrot 20.12%
    Heather 19.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.05 (neutral)

    Molecular weight
    418.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    562°C

    Flash point

    • 167.98 ˚C est.

  • Synonyms

    • Phyllanthin
    • 10351-88-9
    • NSC-619043
    • 75O1TFF47Z
    • 4-[(2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene
    • DTXSID001319088
    • 4-[(2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxy-benzene
    • 4-((2S,3S)-3-((3,4-dimethoxyphenyl)methyl)-4-methoxy-2-(methoxymethyl)butyl)-1,2-dimethoxy-benzene
    • 4-((2S,3S)-3-((3,4-dimethoxyphenyl)methyl)-4-methoxy-2-(methoxymethyl)butyl)-1,2-dimethoxybenzene
    • RefChem:45691
    • GlyTouCan:G89963CA
    • DTXCID101748044
    • 4-((2R,3R)-3-((3,4-dimethoxyphenyl)methyl)-4-methoxy-2-(methoxymethyl)butyl)-1,2-dimethoxybenzene
    • G89963CA
    • NSC619043
    • NSC 619043
    • NCI60_005684
    • AC1L7DK7
    • UNII-75O1TFF47Z
    • Phyllanthin (Standard)
    • PHYLLANTHIN [USP-RS]
    • CHEBI:8177
    • orb1297247
    • Phyllanthin, analytical standard
    • CHEMBL1253999
    • HY-N4107R
    • KFLQGJQSLUYUBF-WOJBJXKFSA-N
    • HY-N4107
    • AKOS032948449
    • EBC-616753
    • FP27032
    • Benzene, 1,1'-(2,3-bis(methoxymethyl)-1,4-butanediyl)bis(3,4-dimethoxy-, (S-(R*,R*))-
    • DA-56827
    • MS-27324
    • CS-0032115
    • A1-06840
    • Q27107847
    • PHYLLANTHIN (CONSTITUENT OF PHYLLANTHUS AMARUS) [DSC]
    • BUTANE, 1,4-DIMETHOXY-2,3-DIVERATRYL-, (2S,3S)-(+)-
    • Phyllanthin, United States Pharmacopeia (USP) Reference Standard
    • 1,1'-[(2S,3S)-2,3-Bis(methoxymethyl)butane-1,4-diyl]bis(3,4-dimethoxybenzene)
    • BENZENE, 1,1'-((2S,3S)-2,3-BIS(METHOXYMETHYL)-1,4-BUTANEDIYL)BIS(3,4-DIMETHOXY-
    • 10351-88-9

  • Applications

    Phyllanthin (CAS 10351-88-9) is a natural lignan that is primarily of interest in pharmaceutical and natural product research as a bioactive constituent and potential lead in lignan chemistry; it is commonly used as an analytical reference standard for LC/GC methods in the quality control and characterization of Phyllanthus-derived materials; in cosmetics and personal care, it may be evaluated as a bioactive ingredient with potential antioxidant or anti-inflammatory activity, subject to regulatory limits; it is also employed as a synthetic intermediate or building block in the preparation of lignan-type compounds; and it features in nutraceutical or botanical research contexts under appropriate regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.36
    methanol 26.07
    isopropanol 23.64
    water 0.85
    ethyl acetate 149.6
    n-propanol 27.79
    acetone 156.86
    n-butanol 22.26
    acetonitrile 83.79
    DMF 118.41
    toluene 27.48
    isobutanol 23.11
    1,4-dioxane 166.49
    methyl acetate 131.66
    THF 232.53
    2-butanone 91.51
    n-pentanol 26.56
    sec-butanol 26.91
    n-hexane 4.64
    ethylene glycol 14.15
    NMP 138.18
    cyclohexane 14.81
    DMSO 275.17
    n-butyl acetate 54.66
    n-octanol 16.21
    chloroform 603.42
    n-propyl acetate 74.57
    acetic acid 184.01
    dichloromethane 635.58
    cyclohexanone 166.86
    propylene glycol 12.21
    isopropyl acetate 87.3
    DMAc 196.02
    2-ethoxyethanol 96.68
    isopentanol 24.42
    n-heptane 5.85
    ethyl formate 77.12
    1,2-dichloroethane 307.27
    n-hexanol 22.34
    2-methoxyethanol 84.98
    isobutyl acetate 46.85
    tetrachloromethane 119.27
    n-pentyl acetate 53.5
    transcutol 119.83
    n-heptanol 20.56
    ethylbenzene 18.99
    MIBK 55.69
    2-propoxyethanol 68.33
    tert-butanol 41.61
    MTBE 50.34
    2-butoxyethanol 56.87
    propionic acid 74.46
    o-xylene 29.6
    formic acid 56.5
    diethyl ether 67.02
    m-xylene 23.35
    p-xylene 27.15
    chlorobenzene 66.34
    dimethyl carbonate 106.1
    n-octane 3.6
    formamide 101.55
    cyclopentanone 197.66
    2-pentanone 79.18
    anisole 42.21
    cyclopentyl methyl ether 91.26
    gamma-butyrolactone 265.98
    1-methoxy-2-propanol 64.42
    pyridine 91.9
    3-pentanone 86.39
    furfural 175.12
    n-dodecane 2.38
    diethylene glycol 59.88
    diisopropyl ether 23.9
    tert-amyl alcohol 39.41
    acetylacetone 184.09
    n-hexadecane 2.68
    acetophenone 67.14
    methyl propionate 121.14
    isopentyl acetate 53.13
    trichloroethylene 550.6
    n-nonanol 17.25
    cyclohexanol 45.25
    benzyl alcohol 40.58
    2-ethylhexanol 19.01
    isooctanol 20.05
    dipropyl ether 38.16
    1,2-dichlorobenzene 88.12
    ethyl lactate 43.68
    propylene carbonate 136.21
    n-methylformamide 73.66
    2-pentanol 19.75
    n-pentane 4.78
    1-propoxy-2-propanol 46.86
    1-methoxy-2-propyl acetate 86.09
    2-(2-methoxypropoxy) propanol 43.68
    mesitylene 17.94
    ε-caprolactone 148.05
    p-cymene 17.66
    epichlorohydrin 308.96
    1,1,1-trichloroethane 327.98
    2-aminoethanol 20.17
    morpholine-4-carbaldehyde 146.37
    sulfolane 285.72
    2,2,4-trimethylpentane 5.1
    2-methyltetrahydrofuran 119.69
    n-hexyl acetate 48.09
    isooctane 2.68
    2-(2-butoxyethoxy)ethanol 51.54
    sec-butyl acetate 51.69
    tert-butyl acetate 93.91
    decalin 7.17
    glycerin 29.15
    diglyme 147.64
    acrylic acid 84.47
    isopropyl myristate 18.94
    n-butyric acid 88.7
    acetyl acetate 177.34
    di(2-ethylhexyl) phthalate 23.77
    ethyl propionate 73.75
    nitromethane 384.14
    1,2-diethoxyethane 62.9
    benzonitrile 50.65
    trioctyl phosphate 17.85
    1-bromopropane 86.37
    gamma-valerolactone 228.66
    n-decanol 12.22
    triethyl phosphate 48.64
    4-methyl-2-pentanol 15.53
    propionitrile 52.65
    vinylene carbonate 138.88
    1,1,2-trichlorotrifluoroethane 250.87
    DMS 79.91
    cumene 16.35
    2-octanol 14.2
    2-hexanone 57.2
    octyl acetate 24.89
    limonene 25.18
    1,2-dimethoxyethane 137.71
    ethyl orthosilicate 43.24
    tributyl phosphate 22.77
    diacetone alcohol 78.36
    N,N-dimethylaniline 32.97
    acrylonitrile 71.45
    aniline 38.23
    1,3-propanediol 32.32
    bromobenzene 77.62
    dibromomethane 330.34
    1,1,2,2-tetrachloroethane 420.15
    2-methyl-cyclohexyl acetate 51.59
    tetrabutyl urea 28.44
    diisobutyl methanol 15.92
    2-phenylethanol 35.26
    styrene 22.01
    dioctyl adipate 35.19
    dimethyl sulfate 187.93
    ethyl butyrate 60.55
    methyl lactate 60.44
    butyl lactate 39.0
    diethyl carbonate 53.24
    propanediol butyl ether 31.61
    triethyl orthoformate 51.74
    p-tert-butyltoluene 16.97
    methyl 4-tert-butylbenzoate 67.34
    morpholine 148.08
    tert-butylamine 22.11
    n-dodecanol 9.14
    dimethoxymethane 138.94
    ethylene carbonate 125.77
    cyrene 76.01
    2-ethoxyethyl acetate 91.07
    2-ethylhexyl acetate 42.88
    1,2,4-trichlorobenzene 102.64
    4-methylpyridine 67.79
    dibutyl ether 23.72
    2,6-dimethyl-4-heptanol 15.92
    DEF 105.03
    dimethyl isosorbide 99.52
    tetrachloroethylene 308.05
    eugenol 49.85
    triacetin 87.21
    span 80 34.99
    1,4-butanediol 23.29
    1,1-dichloroethane 218.28
    2-methyl-1-pentanol 27.3
    methyl formate 89.94
    2-methyl-1-butanol 24.42
    n-decane 4.38
    butyronitrile 41.68
    3,7-dimethyl-1-octanol 15.53
    1-chlorooctane 16.45
    1-chlorotetradecane 6.47
    n-nonane 3.99
    undecane 3.07
    tert-butylcyclohexane 5.33
    cyclooctane 5.44
    cyclopentanol 50.86
    tetrahydropyran 112.22
    tert-amyl methyl ether 47.62
    2,5,8-trioxanonane 84.32
    1-hexene 11.68
    2-isopropoxyethanol 68.71
    2,2,2-trifluoroethanol 150.38
    methyl butyrate 82.69

    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