Magnoshinin

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  • Identifiers

    CAS number
    86702-02-5

    Molecular formula
    C24H30O6

    SMILES
    C[C@@H]1[C@H](C2=C(C=C1C)C(=CC(=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 62.53%
    Woody 48.54%
    Phenolic 43.11%
    Floral 36.02%
    Balsamic 33.29%
    Powdery 32.24%
    Smoky 32.11%
    Vanilla 31.81%
    Sweet 25.81%
    Leathery 25.62%

     

    Flavor
    Bitter 76.46%
    Bland 22.74%
    Parsley 22.73%
    Cedarleaf 20.67%
    Eugenol 20.18%
    Carrot 19.76%
    Ripe apricot 19.56%
    Lovage 19.44%
    Red fruit 19.31%
    Sweet-like 19.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    6.48 (neutral)

    Molecular weight
    414.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    875°C

    Flash point

    • 174.61 ˚C est.

  • Synonyms

    • Magnoshinin
    • CHEBI:6645
    • RefChem:925197
    • (1R,2S)-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene
    • 86702-02-5
    • (1S,2R)-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene
    • C10658
    • SCHEMBL31046740
    • 5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene
    • DTXSID901007036
    • Q27107289
    • 86702-02-5

  • Applications

    Magnoshinin (CAS 86702-02-5) is used as a solvent and processing aid in industrial manufacturing, may serve as an intermediate or precursor in chemical syntheses, and is sometimes employed in fragrance formulations as a fixative or aroma component; in cosmetics and personal care it may serve as a solvent or fragrance ingredient; in coatings and inks it functions as a solvent or processing additive; in plastics and polymer processing it acts as a processing aid or stabilizer; in cleaning and household formulations it can serve as a solvent or a surfactant-like component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.52
    methanol 8.1
    isopropanol 10.32
    water 0.1
    ethyl acetate 79.13
    n-propanol 13.06
    acetone 71.11
    n-butanol 12.33
    acetonitrile 38.86
    DMF 64.74
    toluene 31.63
    isobutanol 11.93
    1,4-dioxane 100.33
    methyl acetate 72.78
    THF 127.42
    2-butanone 57.47
    n-pentanol 16.14
    sec-butanol 11.65
    n-hexane 3.66
    ethylene glycol 5.42
    NMP 136.36
    cyclohexane 9.16
    DMSO 78.08
    n-butyl acetate 50.11
    n-octanol 12.19
    chloroform 315.84
    n-propyl acetate 51.52
    acetic acid 71.97
    dichloromethane 281.1
    cyclohexanone 95.71
    propylene glycol 4.83
    isopropyl acetate 50.53
    DMAc 124.2
    2-ethoxyethanol 40.81
    isopentanol 15.24
    n-heptane 3.92
    ethyl formate 39.44
    1,2-dichloroethane 160.05
    n-hexanol 17.63
    2-methoxyethanol 35.9
    isobutyl acetate 37.97
    tetrachloromethane 67.31
    n-pentyl acetate 46.39
    transcutol 64.37
    n-heptanol 15.71
    ethylbenzene 23.26
    MIBK 34.04
    2-propoxyethanol 48.87
    tert-butanol 18.41
    MTBE 28.14
    2-butoxyethanol 39.96
    propionic acid 34.14
    o-xylene 28.04
    formic acid 17.18
    diethyl ether 37.85
    m-xylene 22.48
    p-xylene 34.05
    chlorobenzene 73.55
    dimethyl carbonate 60.17
    n-octane 2.35
    formamide 30.03
    cyclopentanone 116.53
    2-pentanone 45.55
    anisole 44.43
    cyclopentyl methyl ether 55.36
    gamma-butyrolactone 152.45
    1-methoxy-2-propanol 29.54
    pyridine 92.33
    3-pentanone 53.28
    furfural 136.37
    n-dodecane 1.81
    diethylene glycol 36.85
    diisopropyl ether 15.32
    tert-amyl alcohol 18.42
    acetylacetone 94.41
    n-hexadecane 2.15
    acetophenone 62.28
    methyl propionate 65.69
    isopentyl acetate 48.74
    trichloroethylene 342.01
    n-nonanol 13.89
    cyclohexanol 24.37
    benzyl alcohol 38.68
    2-ethylhexanol 18.05
    isooctanol 15.7
    dipropyl ether 24.85
    1,2-dichlorobenzene 88.86
    ethyl lactate 28.66
    propylene carbonate 91.97
    n-methylformamide 30.3
    2-pentanol 11.12
    n-pentane 3.22
    1-propoxy-2-propanol 33.66
    1-methoxy-2-propyl acetate 64.0
    2-(2-methoxypropoxy) propanol 37.25
    mesitylene 16.22
    ε-caprolactone 94.83
    p-cymene 19.75
    epichlorohydrin 182.2
    1,1,1-trichloroethane 184.27
    2-aminoethanol 8.44
    morpholine-4-carbaldehyde 118.76
    sulfolane 164.87
    2,2,4-trimethylpentane 3.32
    2-methyltetrahydrofuran 77.68
    n-hexyl acetate 39.83
    isooctane 1.85
    2-(2-butoxyethoxy)ethanol 41.46
    sec-butyl acetate 40.27
    tert-butyl acetate 52.99
    decalin 6.34
    glycerin 11.96
    diglyme 90.98
    acrylic acid 41.3
    isopropyl myristate 18.79
    n-butyric acid 41.53
    acetyl acetate 107.94
    di(2-ethylhexyl) phthalate 26.71
    ethyl propionate 51.09
    nitromethane 142.76
    1,2-diethoxyethane 43.34
    benzonitrile 49.68
    trioctyl phosphate 17.82
    1-bromopropane 53.92
    gamma-valerolactone 141.41
    n-decanol 10.48
    triethyl phosphate 38.65
    4-methyl-2-pentanol 10.34
    propionitrile 31.16
    vinylene carbonate 95.25
    1,1,2-trichlorotrifluoroethane 162.07
    DMS 64.57
    cumene 18.34
    2-octanol 10.89
    2-hexanone 43.17
    octyl acetate 24.11
    limonene 22.28
    1,2-dimethoxyethane 70.83
    ethyl orthosilicate 35.16
    tributyl phosphate 21.67
    diacetone alcohol 42.79
    N,N-dimethylaniline 35.8
    acrylonitrile 43.31
    aniline 37.46
    1,3-propanediol 14.71
    bromobenzene 84.3
    dibromomethane 158.74
    1,1,2,2-tetrachloroethane 248.12
    2-methyl-cyclohexyl acetate 51.46
    tetrabutyl urea 27.57
    diisobutyl methanol 12.51
    2-phenylethanol 43.54
    styrene 27.58
    dioctyl adipate 34.48
    dimethyl sulfate 104.25
    ethyl butyrate 47.88
    methyl lactate 32.06
    butyl lactate 29.27
    diethyl carbonate 44.83
    propanediol butyl ether 20.84
    triethyl orthoformate 39.33
    p-tert-butyltoluene 17.61
    methyl 4-tert-butylbenzoate 55.99
    morpholine 81.76
    tert-butylamine 11.58
    n-dodecanol 8.17
    dimethoxymethane 69.73
    ethylene carbonate 78.6
    cyrene 64.7
    2-ethoxyethyl acetate 70.42
    2-ethylhexyl acetate 43.4
    1,2,4-trichlorobenzene 113.19
    4-methylpyridine 75.08
    dibutyl ether 17.19
    2,6-dimethyl-4-heptanol 12.51
    DEF 65.27
    dimethyl isosorbide 84.99
    tetrachloroethylene 181.9
    eugenol 49.3
    triacetin 60.4
    span 80 29.48
    1,4-butanediol 10.4
    1,1-dichloroethane 114.72
    2-methyl-1-pentanol 19.88
    methyl formate 39.35
    2-methyl-1-butanol 14.23
    n-decane 3.14
    butyronitrile 26.6
    3,7-dimethyl-1-octanol 13.33
    1-chlorooctane 13.33
    1-chlorotetradecane 6.11
    n-nonane 2.67
    undecane 2.26
    tert-butylcyclohexane 4.71
    cyclooctane 3.73
    cyclopentanol 27.47
    tetrahydropyran 65.39
    tert-amyl methyl ether 26.97
    2,5,8-trioxanonane 64.71
    1-hexene 11.53
    2-isopropoxyethanol 37.81
    2,2,2-trifluoroethanol 56.01
    methyl butyrate 55.02

    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