Guavin D

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  • Identifiers

    CAS number
    107937-15-5

    Molecular formula
    C51H38O29

    SMILES
    CC(=O)OC1COC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)OC1C4C5C(C6=C(C7C8=C(C(=C(C=C8C(=O)O4)O)O)OC7(C(C6=O)(O)O)O)C(=O)O5)C9=C(C=C(C1=C9OC(C(C1)O)C1=CC(=C(C=C1)O)O)O)O)O)O)O)O)O)O

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  • Odor profile

    Fragrance
    Odorless 80.72%
    Phenolic 31.65%
    Burnt 23.13%
    Balsamic 18.98%
    Vanilla 18.6%
    Milky 16.83%
    Spicy 16.8%
    Savory 16.28%
    Bitter 15.9%
    Smoky 15.53%

     

    Flavor
    Bitter 92.07%
    Bland 30.77%
    Odorless 30.36%
    Sweet-like 23.39%
    Cedarleaf 19.68%
    Very mild 19.61%
    Lovage 19.13%
    Parsley 18.92%
    Nitrile 18.46%
    Fenugreek 18.09%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    1.77 (strong acid)

    Molecular weight
    1114.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    4251°C

    Flash point

    • 322.81 ˚C est.

  • Synonyms

    • Guavin D
    • 107937-15-5
    • (10-(19-(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl)-3,3,4,8,9-pentahydroxy-2,12,17-trioxo-13,16,20-trioxapentacyclo(13.3.1.14,7.05,18.06,11)icosa-1(18),6,8,10-tetraen-14-yl)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo(13.4.0.02,7)nonadeca-1(19),2,4,6,15,17-hexaen-11-yl) acetate
    • [10-[19-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,3,4,8,9-pentahydroxy-2,12,17-trioxo-13,16,20-trioxapentacyclo[13.3.1.14,7.05,18.06,11]icosa-1(18),6,8,10-tetraen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] acetate
    • RefChem:144715
    • SCHEMBL30515163
    • DTXSID101319136
    • 7-{14-[2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,3,3a,5,6-pentahydroxy-2,8,13-trioxo-2,3,3a,8,10,11,13,13b-octahydro-1,11-methano[1]benzofuro[4,3,2-ghi][2,5]benzodioxecin-10-yl}-1,2,3,13,14,15-hexahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-8-yl acetate
    • 107937-15-5

  • Applications

    Guavin D, CAS 107937-15-5, is used primarily as a fragrance ingredient and odorant, and may act as a fixative or scent carrier in perfumery. It can be employed in cosmetics and personal care formulations as a fragrance additive, and in household products to impart or preserve aroma in cleaners, detergents, and air fresheners. In coating, ink, and adhesive applications, it may be added as a fragrance component or processing aid, helping to impart a pleasant odor profile. In polymers/plastics and broader industrial manufacturing, it may be evaluated as a specialty fragrance additive or as an intermediate in fragrance synthesis, within formulation limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.63
    methanol 26.43
    isopropanol 4.14
    water 0.47
    ethyl acetate 5.48
    n-propanol 5.94
    acetone 14.25
    n-butanol 2.71
    acetonitrile 4.04
    DMF 351.16
    toluene 0.37
    isobutanol 1.82
    1,4-dioxane 31.62
    methyl acetate 13.17
    THF 50.64
    2-butanone 9.63
    n-pentanol 1.26
    sec-butanol 2.75
    n-hexane 0.01
    ethylene glycol 43.23
    NMP 174.09
    cyclohexane 0.03
    DMSO 168.53
    n-butyl acetate 1.89
    n-octanol 1.52
    chloroform 1.95
    n-propyl acetate 2.89
    acetic acid 85.22
    dichloromethane 2.89
    cyclohexanone 8.11
    propylene glycol 36.47
    isopropyl acetate 2.5
    DMAc 186.1
    2-ethoxyethanol 47.19
    isopentanol 1.0
    n-heptane 0.03
    ethyl formate 11.36
    1,2-dichloroethane 1.86
    n-hexanol 0.6
    2-methoxyethanol 166.9
    isobutyl acetate 0.73
    tetrachloromethane 0.17
    n-pentyl acetate 3.03
    transcutol 41.78
    n-heptanol 1.37
    ethylbenzene 0.12
    MIBK 1.24
    2-propoxyethanol 27.36
    tert-butanol 2.3
    MTBE 1.28
    2-butoxyethanol 16.2
    propionic acid 17.72
    o-xylene 0.23
    formic acid 163.67
    diethyl ether 2.12
    m-xylene 0.18
    p-xylene 0.13
    chlorobenzene 0.28
    dimethyl carbonate 27.39
    n-octane 0.02
    formamide 156.46
    cyclopentanone 29.98
    2-pentanone 4.58
    anisole 1.73
    cyclopentyl methyl ether 4.36
    gamma-butyrolactone 62.63
    1-methoxy-2-propanol 74.14
    pyridine 11.64
    3-pentanone 3.21
    furfural 57.9
    n-dodecane 0.02
    diethylene glycol 50.51
    diisopropyl ether 0.2
    tert-amyl alcohol 1.81
    acetylacetone 15.06
    n-hexadecane 0.02
    acetophenone 2.61
    methyl propionate 12.77
    isopentyl acetate 1.06
    trichloroethylene 5.33
    n-nonanol 1.54
    cyclohexanol 1.44
    benzyl alcohol 2.92
    2-ethylhexanol 0.3
    isooctanol 0.72
    dipropyl ether 1.42
    1,2-dichlorobenzene 0.31
    ethyl lactate 8.21
    propylene carbonate 15.21
    n-methylformamide 115.47
    2-pentanol 1.07
    n-pentane 0.02
    1-propoxy-2-propanol 14.33
    1-methoxy-2-propyl acetate 9.58
    2-(2-methoxypropoxy) propanol 12.84
    mesitylene 0.08
    ε-caprolactone 13.44
    p-cymene 0.1
    epichlorohydrin 32.24
    1,1,1-trichloroethane 0.5
    2-aminoethanol 34.56
    morpholine-4-carbaldehyde 213.71
    sulfolane 100.65
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 7.27
    n-hexyl acetate 3.11
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 19.27
    sec-butyl acetate 1.06
    tert-butyl acetate 2.15
    decalin 0.01
    glycerin 144.21
    diglyme 43.0
    acrylic acid 37.78
    isopropyl myristate 0.82
    n-butyric acid 10.3
    acetyl acetate 4.9
    di(2-ethylhexyl) phthalate 1.46
    ethyl propionate 3.07
    nitromethane 167.02
    1,2-diethoxyethane 5.94
    benzonitrile 1.36
    trioctyl phosphate 1.15
    1-bromopropane 0.39
    gamma-valerolactone 141.12
    n-decanol 0.95
    triethyl phosphate 1.46
    4-methyl-2-pentanol 0.34
    propionitrile 2.74
    vinylene carbonate 18.9
    1,1,2-trichlorotrifluoroethane 78.29
    DMS 6.7
    cumene 0.06
    2-octanol 0.82
    2-hexanone 1.75
    octyl acetate 1.89
    limonene 0.16
    1,2-dimethoxyethane 48.09
    ethyl orthosilicate 1.19
    tributyl phosphate 1.04
    diacetone alcohol 9.49
    N,N-dimethylaniline 1.3
    acrylonitrile 8.59
    aniline 1.97
    1,3-propanediol 34.66
    bromobenzene 0.18
    dibromomethane 0.7
    1,1,2,2-tetrachloroethane 3.85
    2-methyl-cyclohexyl acetate 1.07
    tetrabutyl urea 2.71
    diisobutyl methanol 0.2
    2-phenylethanol 1.54
    styrene 0.18
    dioctyl adipate 2.33
    dimethyl sulfate 62.7
    ethyl butyrate 2.19
    methyl lactate 43.4
    butyl lactate 6.4
    diethyl carbonate 1.8
    propanediol butyl ether 21.98
    triethyl orthoformate 2.6
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 4.72
    morpholine 47.52
    tert-butylamine 0.45
    n-dodecanol 0.58
    dimethoxymethane 91.57
    ethylene carbonate 11.05
    cyrene 21.93
    2-ethoxyethyl acetate 10.36
    2-ethylhexyl acetate 0.76
    1,2,4-trichlorobenzene 0.71
    4-methylpyridine 5.09
    dibutyl ether 0.98
    2,6-dimethyl-4-heptanol 0.2
    DEF 18.04
    dimethyl isosorbide 17.4
    tetrachloroethylene 2.47
    eugenol 6.48
    triacetin 9.43
    span 80 11.63
    1,4-butanediol 9.38
    1,1-dichloroethane 0.79
    2-methyl-1-pentanol 0.51
    methyl formate 96.57
    2-methyl-1-butanol 1.24
    n-decane 0.04
    butyronitrile 1.53
    3,7-dimethyl-1-octanol 0.55
    1-chlorooctane 0.23
    1-chlorotetradecane 0.08
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 4.18
    tetrahydropyran 5.28
    tert-amyl methyl ether 1.27
    2,5,8-trioxanonane 27.13
    1-hexene 0.07
    2-isopropoxyethanol 13.75
    2,2,2-trifluoroethanol 38.44
    methyl butyrate 4.41

    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