17H-18,7a,10-(Epoxyethanylylidene)-2H-pyrano(2',3':4,5)benzofuro(3,2-e)(2)benzoxacycloundecin-8,15,20-trione, 2-(3,4-dihydroxyphenyl)-3,4,18,18a-tetrahydro-3,5,9,11,12,13-hexahydroxy-17-(5,8,9,11-tetrahydro-1,2,3,8,13,14,15-hexahydroxy-5,11-dioxo-7H-dibenzo(g,i)(1,5)dioxacycloundecin-7-yl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    154561-15-6

    Molecular formula
    C48H34O26

    SMILES
    C1C(C(OC2=C1C(=CC3=C2C4C5C(OC(=O)C6=CC(=C(C(=C6C7=C(C(=O)C4(C7C(=O)O5)O3)O)O)O)O)C8C(COC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 79.47%
    Phenolic 33.9%
    Burnt 25.92%
    Spicy 17.91%
    Savory 16.91%
    Smoky 16.86%
    Balsamic 16.79%
    Vanilla 16.7%
    Bitter 15.25%
    Milky 14.81%

     

    Flavor
    Bitter 92.93%
    Bland 28.03%
    Odorless 27.08%
    Sweet-like 22.61%
    Cedarleaf 19.54%
    Lovage 18.95%
    Parsley 18.61%
    Nitrile 18.34%
    Fenugreek 17.84%
    Ripe apricot 17.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    4.55 (weak acid)

    Molecular weight
    1026.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    4883°C

    Flash point

    • 305.19 ˚C est.

  • Synonyms

    • Camelliatannin F
    • 154561-15-6
    • 17H-18,7a,10-(Epoxyethanylylidene)-2H-pyrano(2',3':4,5)benzofuro(3,2-e)(2)benzoxacycloundecin-8,15,20-trione, 2-(3,4-dihydroxyphenyl)-3,4,18,18a-tetrahydro-3,5,9,11,12,13-hexahydroxy-17-(5,8,9,11-tetrahydro-1,2,3,8,13,14,15-hexahydroxy-5,11-dioxo-7H-dibenzo(g,i)(1,5)dioxacycloundecin-7-yl)-
    • 9-(3,4-dihydroxyphenyl)-15-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-5,8,20,21,22,25-hexahydroxy-2,10,16,29-tetraoxaheptacyclo[12.12.3.01,13.03,12.06,11.018,23.024,27]nonacosa-3(12),4,6(11),18,20,22,24-heptaene-17,26,28-trione
    • 9-(3,4-dihydroxyphenyl)-15-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo(13.4.0.02,7)nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-5,8,20,21,22,25-hexahydroxy-2,10,16,29-tetraoxaheptacyclo(12.12.3.01,13.03,12.06,11.018,23.024,27)nonacosa-3(12),4,6(11),18,20,22,24-heptaene-17,26,28-trione
    • RefChem:908262
    • 17H-18,7a,10-(Epoxyethanylylidene)-2H-pyrano02',3':4,5-benzofuro03,2-e-02-benzoxacycloundecin-8,15,20-trione, 2-(3,4-dihydroxyphenyl)-3,4,18,18a-tetrahydro-3,5,9,11,12,13-hexahydroxy-17-(5,8,9,11-tetrahydro-1,2,3,8,13,14,15-hexahydroxy-5,11-dioxo-7H-dibenz)
    • SCHEMBL30190073
    • (3,4-dihydroxyphenyl)-[heptahydroxy(dioxo)[?]yl]-hexahydroxy-[?]trione
    • 17H-18,7a,10-(Epoxyethanylylidene)-2h-pyrano[2',3':4,5]benzofuro[3,2-e][2]benzoxacycloundecin-8,15,20-trione,2-(3,4-dihydroxyphenyl)-3,4,18,18a-tetrahydro-3,5,9,11,12,13-hexahydroxy-17-(5,8,9,11-tetrahydro-1,2,3,8,13,14,15-hexahydroxy-5,11-dioxo-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)- (9ci)
    • 154561-15-6

  • Applications

    Chemical name: 17H-18,7a,10-(Epoxyethanylylidene)-2H-pyrano(2',3':4,5)benzofuro(3,2-e)(2)benzoxacycloundecin-8,15,20-trione, 2-(3,4-dihydroxyphenyl)-3,4,18,18a-tetrahydro-3,5,9,11,12,13-hexahydroxy-17-(5,8,9,11-tetrahydro-1,2,3,8,13,14,15-hexahydroxy-5,11-dioxo-7H-dibenzo(g,i)(1,5)dioxacycloundecin-7-yl)-, CAS number: 154561-15-6, is a highly functional polycyclic polyhydroxylated compound that is primarily encountered as an advanced synthetic intermediate and building block in pharmaceutical and specialty-chemistry workflows. In practice, it is commonly evaluated as an intermediate for pharmaceutical synthesis and as a precursor for complex polymer or resin systems; it may serve as a crosslinking or functionalization agent in coatings and inks; it can act as a chelating agent or stabilizer in industrial formulations; and it represents a potential starting point for the development of specialty materials for electronics and high-performance plastics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.26
    methanol 18.55
    isopropanol 5.57
    water 0.82
    ethyl acetate 8.67
    n-propanol 6.48
    acetone 26.97
    n-butanol 2.99
    acetonitrile 7.38
    DMF 299.16
    toluene 1.0
    isobutanol 2.35
    1,4-dioxane 36.67
    methyl acetate 18.72
    THF 75.22
    2-butanone 15.77
    n-pentanol 1.83
    sec-butanol 3.36
    n-hexane 0.04
    ethylene glycol 34.83
    NMP 170.97
    cyclohexane 0.07
    DMSO 174.26
    n-butyl acetate 3.21
    n-octanol 2.54
    chloroform 3.16
    n-propyl acetate 5.17
    acetic acid 92.51
    dichloromethane 3.72
    cyclohexanone 12.28
    propylene glycol 29.12
    isopropyl acetate 4.7
    DMAc 192.67
    2-ethoxyethanol 44.86
    isopentanol 1.36
    n-heptane 0.08
    ethyl formate 11.91
    1,2-dichloroethane 2.71
    n-hexanol 1.03
    2-methoxyethanol 121.61
    isobutyl acetate 1.56
    tetrachloromethane 0.37
    n-pentyl acetate 4.85
    transcutol 46.69
    n-heptanol 2.07
    ethylbenzene 0.33
    MIBK 2.26
    2-propoxyethanol 28.54
    tert-butanol 3.74
    MTBE 2.2
    2-butoxyethanol 17.93
    propionic acid 22.07
    o-xylene 0.57
    formic acid 116.66
    diethyl ether 3.58
    m-xylene 0.49
    p-xylene 0.38
    chlorobenzene 0.62
    dimethyl carbonate 35.32
    n-octane 0.07
    formamide 128.21
    cyclopentanone 43.05
    2-pentanone 7.33
    anisole 3.11
    cyclopentyl methyl ether 7.77
    gamma-butyrolactone 87.37
    1-methoxy-2-propanol 69.44
    pyridine 17.6
    3-pentanone 5.88
    furfural 58.59
    n-dodecane 0.06
    diethylene glycol 48.48
    diisopropyl ether 0.51
    tert-amyl alcohol 2.56
    acetylacetone 26.39
    n-hexadecane 0.07
    acetophenone 4.85
    methyl propionate 17.98
    isopentyl acetate 1.71
    trichloroethylene 8.5
    n-nonanol 2.59
    cyclohexanol 2.34
    benzyl alcohol 4.64
    2-ethylhexanol 0.57
    isooctanol 1.18
    dipropyl ether 2.55
    1,2-dichlorobenzene 0.58
    ethyl lactate 10.61
    propylene carbonate 20.02
    n-methylformamide 92.75
    2-pentanol 1.57
    n-pentane 0.05
    1-propoxy-2-propanol 17.28
    1-methoxy-2-propyl acetate 14.05
    2-(2-methoxypropoxy) propanol 14.71
    mesitylene 0.23
    ε-caprolactone 17.21
    p-cymene 0.27
    epichlorohydrin 41.43
    1,1,1-trichloroethane 1.14
    2-aminoethanol 28.42
    morpholine-4-carbaldehyde 193.25
    sulfolane 117.59
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 11.48
    n-hexyl acetate 4.98
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 21.99
    sec-butyl acetate 2.05
    tert-butyl acetate 4.17
    decalin 0.03
    glycerin 95.22
    diglyme 44.89
    acrylic acid 41.58
    isopropyl myristate 1.59
    n-butyric acid 11.82
    acetyl acetate 8.72
    di(2-ethylhexyl) phthalate 2.07
    ethyl propionate 4.96
    nitromethane 192.43
    1,2-diethoxyethane 8.28
    benzonitrile 2.48
    trioctyl phosphate 1.86
    1-bromopropane 0.69
    gamma-valerolactone 151.66
    n-decanol 1.69
    triethyl phosphate 2.09
    4-methyl-2-pentanol 0.58
    propionitrile 4.51
    vinylene carbonate 22.04
    1,1,2-trichlorotrifluoroethane 76.42
    DMS 9.81
    cumene 0.17
    2-octanol 1.48
    2-hexanone 3.43
    octyl acetate 3.32
    limonene 0.36
    1,2-dimethoxyethane 49.46
    ethyl orthosilicate 1.73
    tributyl phosphate 1.69
    diacetone alcohol 14.25
    N,N-dimethylaniline 2.16
    acrylonitrile 12.33
    aniline 3.56
    1,3-propanediol 28.9
    bromobenzene 0.43
    dibromomethane 1.15
    1,1,2,2-tetrachloroethane 5.8
    2-methyl-cyclohexyl acetate 1.77
    tetrabutyl urea 4.4
    diisobutyl methanol 0.37
    2-phenylethanol 2.63
    styrene 0.46
    dioctyl adipate 3.5
    dimethyl sulfate 72.15
    ethyl butyrate 3.26
    methyl lactate 44.56
    butyl lactate 8.47
    diethyl carbonate 2.62
    propanediol butyl ether 23.25
    triethyl orthoformate 3.75
    p-tert-butyltoluene 0.27
    methyl 4-tert-butylbenzoate 6.75
    morpholine 49.31
    tert-butylamine 0.88
    n-dodecanol 1.11
    dimethoxymethane 96.89
    ethylene carbonate 14.02
    cyrene 23.86
    2-ethoxyethyl acetate 13.97
    2-ethylhexyl acetate 1.33
    1,2,4-trichlorobenzene 1.29
    4-methylpyridine 8.61
    dibutyl ether 1.81
    2,6-dimethyl-4-heptanol 0.37
    DEF 21.67
    dimethyl isosorbide 20.5
    tetrachloroethylene 3.61
    eugenol 8.23
    triacetin 12.35
    span 80 13.1
    1,4-butanediol 9.62
    1,1-dichloroethane 1.56
    2-methyl-1-pentanol 0.82
    methyl formate 79.94
    2-methyl-1-butanol 1.57
    n-decane 0.13
    butyronitrile 2.37
    3,7-dimethyl-1-octanol 0.95
    1-chlorooctane 0.49
    1-chlorotetradecane 0.2
    n-nonane 0.1
    undecane 0.09
    tert-butylcyclohexane 0.02
    cyclooctane 0.04
    cyclopentanol 6.44
    tetrahydropyran 8.43
    tert-amyl methyl ether 2.11
    2,5,8-trioxanonane 29.08
    1-hexene 0.17
    2-isopropoxyethanol 16.66
    2,2,2-trifluoroethanol 45.33
    methyl butyrate 6.55

    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