Myricomplanoside

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  • Identifiers

    CAS number
    123442-26-2

    Molecular formula
    C22H22O13

    SMILES
    COC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 77.47%
    Phenolic 31.65%
    Vanilla 27.12%
    Burnt 23.79%
    Milky 21.45%
    Savory 20.78%
    Smoky 20.34%
    Balsamic 17.65%
    Creamy 16.82%
    Bitter 16.5%

     

    Flavor
    Bitter 76.32%
    Odorless 37.17%
    Bland 35.01%
    Sweet-like 26.75%
    Very mild 21.14%
    Eugenol 20.6%
    Parsley 20.21%
    Cedarleaf 20.19%
    Mild 19.71%
    Lovage 19.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    8.8 (weak base)

    Molecular weight
    494.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4706°C

    Flash point

    • 317.05 ˚C est.

  • Synonyms

    • Myricomplanoside
    • 123442-26-2
    • DTXSID20154014
    • 3,5,7-trihydroxy-2-[4-hydroxy-3-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
    • 4H-1-Benzopyran-4-one, 2-(3-(beta-D-glucopyranosyloxy)-4-hydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-
    • 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)chromen-4-one
    • RefChem:160396
    • DTXCID9076505
    • Isorhamnetin-5-O-methyl ether-3-glucoside
    • XI161830
    • 2-[3-(?-D-Glucopyranosyloxy)-4-hydroxy-5-methoxyphenyl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one
    • 2-Hydroxy-3-methoxy-5-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl beta-D-glucopyranoside
    • 123442-26-2

  • Applications

    Myricomplanoside (CAS 123442-26-2) may be viewed as a natural product-derived intermediate and functional additive for a range of industrial applications. In cosmetics and personal care, it may be used as a fragrance component or precursor and may act as an antioxidant or stabilizer in formulations. In perfumery, it may function as an odorant or minor fixative. In coatings and inks as well as in polymers and plastics, it may be evaluated as a natural antioxidant or stabilizer and as a processing additive. In industrial manufacturing, it may serve as an intermediate for synthesis or formulation aid, and in household cleaning products it may be used as a fragrance ingredient or odor-control additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.68
    methanol 5.38
    isopropanol 1.02
    water 0.08
    ethyl acetate 0.08
    n-propanol 2.73
    acetone 0.34
    n-butanol 0.85
    acetonitrile 0.07
    DMF 16.6
    toluene 0.01
    isobutanol 0.56
    1,4-dioxane 1.55
    methyl acetate 0.25
    THF 2.67
    2-butanone 0.66
    n-pentanol 0.32
    sec-butanol 1.04
    n-hexane 0.0
    ethylene glycol 15.77
    NMP 18.35
    cyclohexane 0.01
    DMSO 36.56
    n-butyl acetate 0.06
    n-octanol 0.29
    chloroform 0.01
    n-propyl acetate 0.06
    acetic acid 5.07
    dichloromethane 0.02
    cyclohexanone 0.58
    propylene glycol 17.2
    isopropyl acetate 0.04
    DMAc 15.47
    2-ethoxyethanol 8.82
    isopentanol 0.25
    n-heptane 0.01
    ethyl formate 0.25
    1,2-dichloroethane 0.03
    n-hexanol 0.16
    2-methoxyethanol 36.65
    isobutyl acetate 0.02
    tetrachloromethane 0.0
    n-pentyl acetate 0.15
    transcutol 7.41
    n-heptanol 0.34
    ethylbenzene 0.01
    MIBK 0.05
    2-propoxyethanol 3.82
    tert-butanol 0.35
    MTBE 0.08
    2-butoxyethanol 2.96
    propionic acid 1.93
    o-xylene 0.01
    formic acid 20.27
    diethyl ether 0.13
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.0
    dimethyl carbonate 0.39
    n-octane 0.01
    formamide 18.05
    cyclopentanone 1.52
    2-pentanone 0.19
    anisole 0.04
    cyclopentyl methyl ether 0.25
    gamma-butyrolactone 2.23
    1-methoxy-2-propanol 13.53
    pyridine 0.45
    3-pentanone 0.15
    furfural 1.78
    n-dodecane 0.0
    diethylene glycol 8.87
    diisopropyl ether 0.01
    tert-amyl alcohol 0.44
    acetylacetone 0.21
    n-hexadecane 0.0
    acetophenone 0.07
    methyl propionate 0.33
    isopentyl acetate 0.05
    trichloroethylene 0.04
    n-nonanol 0.3
    cyclohexanol 0.36
    benzyl alcohol 0.16
    2-ethylhexanol 0.06
    isooctanol 0.16
    dipropyl ether 0.12
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.52
    propylene carbonate 0.29
    n-methylformamide 8.0
    2-pentanol 0.24
    n-pentane 0.01
    1-propoxy-2-propanol 1.83
    1-methoxy-2-propyl acetate 0.34
    2-(2-methoxypropoxy) propanol 2.01
    mesitylene 0.0
    ε-caprolactone 0.77
    p-cymene 0.01
    epichlorohydrin 1.19
    1,1,1-trichloroethane 0.0
    2-aminoethanol 18.85
    morpholine-4-carbaldehyde 15.55
    sulfolane 8.89
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.58
    n-hexyl acetate 0.19
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.59
    sec-butyl acetate 0.03
    tert-butyl acetate 0.05
    decalin 0.0
    glycerin 45.4
    diglyme 5.47
    acrylic acid 2.93
    isopropyl myristate 0.05
    n-butyric acid 0.69
    acetyl acetate 0.04
    di(2-ethylhexyl) phthalate 0.12
    ethyl propionate 0.06
    nitromethane 3.73
    1,2-diethoxyethane 0.34
    benzonitrile 0.03
    trioctyl phosphate 0.12
    1-bromopropane 0.02
    gamma-valerolactone 8.63
    n-decanol 0.18
    triethyl phosphate 0.08
    4-methyl-2-pentanol 0.06
    propionitrile 0.12
    vinylene carbonate 0.27
    1,1,2-trichlorotrifluoroethane 5.34
    DMS 0.17
    cumene 0.0
    2-octanol 0.16
    2-hexanone 0.1
    octyl acetate 0.12
    limonene 0.02
    1,2-dimethoxyethane 3.41
    ethyl orthosilicate 0.07
    tributyl phosphate 0.09
    diacetone alcohol 0.78
    N,N-dimethylaniline 0.04
    acrylonitrile 0.25
    aniline 0.1
    1,3-propanediol 13.23
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.05
    2-methyl-cyclohexyl acetate 0.06
    tetrabutyl urea 0.24
    diisobutyl methanol 0.03
    2-phenylethanol 0.09
    styrene 0.01
    dioctyl adipate 0.15
    dimethyl sulfate 1.32
    ethyl butyrate 0.07
    methyl lactate 3.09
    butyl lactate 0.63
    diethyl carbonate 0.04
    propanediol butyl ether 3.9
    triethyl orthoformate 0.13
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.36
    morpholine 5.72
    tert-butylamine 0.07
    n-dodecanol 0.1
    dimethoxymethane 4.11
    ethylene carbonate 0.18
    cyrene 2.85
    2-ethoxyethyl acetate 0.4
    2-ethylhexyl acetate 0.03
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.11
    dibutyl ether 0.09
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.88
    dimethyl isosorbide 1.62
    tetrachloroethylene 0.04
    eugenol 0.6
    triacetin 0.41
    span 80 1.91
    1,4-butanediol 2.69
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.13
    methyl formate 2.95
    2-methyl-1-butanol 0.42
    n-decane 0.01
    butyronitrile 0.06
    3,7-dimethyl-1-octanol 0.09
    1-chlorooctane 0.03
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.96
    tetrahydropyran 0.44
    tert-amyl methyl ether 0.11
    2,5,8-trioxanonane 3.77
    1-hexene 0.01
    2-isopropoxyethanol 1.7
    2,2,2-trifluoroethanol 1.65
    methyl butyrate 0.12

    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