9H-4,7:20,26-Dimethano-10,14-metheno-20H,26H-tribenzo(e,h,l)(1,4,10,14)tetraoxacycloeicosin-9-one, 6,7-dihydro-1,3,12,13,16,17,18,23,25,27-decahydroxy-6-(3,4,5-trihydroxyphenyl)-, (6R,7R,20R,26R,27R)-

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  • Identifiers

    CAS number
    147103-18-2

    Molecular formula
    C37H28O18

    SMILES
    C1C2C(OC3=C1C(=CC(=C3C4C(C(C5=CC(=C(C(=C5OC6=CC(=CC(=C6O)O)C(=O)O2)O)O)O)OC7=CC(=CC(=C47)O)O)O)O)O)C8=CC(=C(C(=C8)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 73.95%
    Phenolic 48.57%
    Burnt 30.21%
    Smoky 23.97%
    Spicy 20.09%
    Medicinal 18.64%
    Savory 17.51%
    Balsamic 15.84%
    Vanilla 15.06%
    Bitter 13.43%

     

    Flavor
    Bitter 92.53%
    Bland 27.12%
    Odorless 25.16%
    Sweet-like 23.14%
    Cedarleaf 20.16%
    Eugenol 19.43%
    Parsley 19.2%
    Lovage 18.98%
    Rotten 18.74%
    Nitrile 18.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    15.98 (strong base)

    Molecular weight
    760.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    6244°C

    Flash point

    • 247.06 ˚C est.

  • Synonyms

    • 147103-18-2
    • 9H-4,7:20,26-Dimethano-10,14-metheno-20H,26H-tribenzo[e,h,l][1,4,10,14]tetraoxacycloeicosin-9-one, 6,7-dihydro-1,3,12,13,16,17,18,23,25,27-decahydroxy-6-(3,4,5-trihydroxyphenyl)-, (6R,7R,20R,26R,27R)-
    • 9H-4,7:20,26-Dimethano-10,14-metheno-20H,26H-tribenzo(e,h,l)(1,4,10,14)tetraoxacycloeicosin-9-one, 6,7-dihydro-1,3,12,13,16,17,18,23,25,27-decahydroxy-6-(3,4,5-trihydroxyphenyl)-, (6R,7R,20R,26R,27R)-
    • RefChem:313351
    • Samarangenin A
    • DTXSID401098383
    • 147103-18-2

  • Applications

    Chemical 9H-4,7:20,26-Dimethano-10,14-metheno-20H,26H-tribenzo(e,h,l)(1,4,10,14)tetraoxacycloeicosin-9-one, 6,7-dihydro-1,3,12,13,16,17,18,23,25,27-decahydroxy-6-(3,4,5-trihydroxyphenyl)-, (6R,7R,20R,26R,27R)- (CAS 147103-18-2) is a macrocyclic polyether bearing phenolic substituents; in industry, it may function as a chelating ligand for metal ions, with utility in analytical chemistry, separations, and sensor technologies; the phenolic hydroxy groups suggest antioxidant and stabilizing potential for polymer formulations and personal-care products, subject to regulatory limits; it could be used as an intermediate or building block in organic synthesis for functionalization and crosslinking, and may find use in coatings, inks, or as a polymer additive to impart metal-binding sites or antioxidant performance; additionally, its crown-ether-like motif can enable applications in catalysis or as a component in ion-selective systems in electronics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.83
    methanol 2.96
    isopropanol 0.73
    water 0.07
    ethyl acetate 1.28
    n-propanol 1.43
    acetone 1.4
    n-butanol 0.62
    acetonitrile 0.53
    DMF 34.39
    toluene 0.12
    isobutanol 0.42
    1,4-dioxane 5.75
    methyl acetate 1.85
    THF 10.45
    2-butanone 1.92
    n-pentanol 0.27
    sec-butanol 0.65
    n-hexane 0.0
    ethylene glycol 8.34
    NMP 26.59
    cyclohexane 0.01
    DMSO 24.17
    n-butyl acetate 0.48
    n-octanol 0.61
    chloroform 0.21
    n-propyl acetate 0.53
    acetic acid 12.53
    dichloromethane 0.22
    cyclohexanone 1.32
    propylene glycol 9.8
    isopropyl acetate 0.64
    DMAc 31.89
    2-ethoxyethanol 13.62
    isopentanol 0.26
    n-heptane 0.01
    ethyl formate 1.58
    1,2-dichloroethane 0.2
    n-hexanol 0.2
    2-methoxyethanol 41.59
    isobutyl acetate 0.15
    tetrachloromethane 0.03
    n-pentyl acetate 0.95
    transcutol 17.32
    n-heptanol 0.57
    ethylbenzene 0.04
    MIBK 0.28
    2-propoxyethanol 9.69
    tert-butanol 0.41
    MTBE 0.28
    2-butoxyethanol 6.6
    propionic acid 3.53
    o-xylene 0.08
    formic acid 23.66
    diethyl ether 0.53
    m-xylene 0.07
    p-xylene 0.03
    chlorobenzene 0.05
    dimethyl carbonate 3.98
    n-octane 0.01
    formamide 20.49
    cyclopentanone 4.5
    2-pentanone 0.91
    anisole 0.36
    cyclopentyl methyl ether 1.05
    gamma-butyrolactone 9.99
    1-methoxy-2-propanol 23.72
    pyridine 2.52
    3-pentanone 0.74
    furfural 8.38
    n-dodecane 0.01
    diethylene glycol 15.33
    diisopropyl ether 0.06
    tert-amyl alcohol 0.42
    acetylacetone 2.59
    n-hexadecane 0.01
    acetophenone 0.51
    methyl propionate 2.8
    isopentyl acetate 0.29
    trichloroethylene 0.56
    n-nonanol 0.65
    cyclohexanol 0.31
    benzyl alcohol 0.63
    2-ethylhexanol 0.12
    isooctanol 0.32
    dipropyl ether 0.56
    1,2-dichlorobenzene 0.05
    ethyl lactate 2.24
    propylene carbonate 2.09
    n-methylformamide 14.0
    2-pentanol 0.29
    n-pentane 0.01
    1-propoxy-2-propanol 5.92
    1-methoxy-2-propyl acetate 3.16
    2-(2-methoxypropoxy) propanol 4.62
    mesitylene 0.03
    ε-caprolactone 2.62
    p-cymene 0.05
    epichlorohydrin 5.58
    1,1,1-trichloroethane 0.05
    2-aminoethanol 8.76
    morpholine-4-carbaldehyde 36.62
    sulfolane 15.01
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.56
    n-hexyl acetate 0.95
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 7.76
    sec-butyl acetate 0.25
    tert-butyl acetate 0.6
    decalin 0.0
    glycerin 39.4
    diglyme 13.74
    acrylic acid 6.47
    isopropyl myristate 0.29
    n-butyric acid 2.38
    acetyl acetate 0.84
    di(2-ethylhexyl) phthalate 0.43
    ethyl propionate 0.7
    nitromethane 18.92
    1,2-diethoxyethane 1.99
    benzonitrile 0.24
    trioctyl phosphate 0.37
    1-bromopropane 0.07
    gamma-valerolactone 26.75
    n-decanol 0.4
    triethyl phosphate 0.36
    4-methyl-2-pentanol 0.11
    propionitrile 0.49
    vinylene carbonate 2.22
    1,1,2-trichlorotrifluoroethane 16.98
    DMS 1.32
    cumene 0.02
    2-octanol 0.31
    2-hexanone 0.34
    octyl acetate 0.61
    limonene 0.06
    1,2-dimethoxyethane 10.22
    ethyl orthosilicate 0.33
    tributyl phosphate 0.31
    diacetone alcohol 2.91
    N,N-dimethylaniline 0.3
    acrylonitrile 1.33
    aniline 0.51
    1,3-propanediol 8.4
    bromobenzene 0.03
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 0.5
    2-methyl-cyclohexyl acetate 0.27
    tetrabutyl urea 0.77
    diisobutyl methanol 0.08
    2-phenylethanol 0.43
    styrene 0.05
    dioctyl adipate 0.69
    dimethyl sulfate 7.62
    ethyl butyrate 0.55
    methyl lactate 10.57
    butyl lactate 2.31
    diethyl carbonate 0.39
    propanediol butyl ether 8.15
    triethyl orthoformate 0.76
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 1.54
    morpholine 10.24
    tert-butylamine 0.09
    n-dodecanol 0.23
    dimethoxymethane 15.84
    ethylene carbonate 1.48
    cyrene 5.47
    2-ethoxyethyl acetate 3.06
    2-ethylhexyl acetate 0.21
    1,2,4-trichlorobenzene 0.11
    4-methylpyridine 0.96
    dibutyl ether 0.37
    2,6-dimethyl-4-heptanol 0.08
    DEF 3.45
    dimethyl isosorbide 5.58
    tetrachloroethylene 0.33
    eugenol 2.07
    triacetin 2.49
    span 80 4.2
    1,4-butanediol 1.85
    1,1-dichloroethane 0.09
    2-methyl-1-pentanol 0.14
    methyl formate 9.16
    2-methyl-1-butanol 0.34
    n-decane 0.02
    butyronitrile 0.27
    3,7-dimethyl-1-octanol 0.22
    1-chlorooctane 0.08
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.87
    tetrahydropyran 1.03
    tert-amyl methyl ether 0.37
    2,5,8-trioxanonane 8.71
    1-hexene 0.02
    2-isopropoxyethanol 3.95
    2,2,2-trifluoroethanol 4.51
    methyl butyrate 0.86

    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