Guavin A

Overview IFRA Request a quote

  • Identifiers

    CAS number
    105581-34-8

    Molecular formula
    C56H40O32

    SMILES
    C1C(C(OC2=C1C(=CC(=C2C3C4C(OC(=O)C5=CC(=C(C6=C5C7C(=C3C(=O)C(C7(O6)O)(O)O)C(=O)O4)O)O)C8C(COC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 81.15%
    Phenolic 32.68%
    Burnt 23.65%
    Balsamic 18.53%
    Spicy 16.4%
    Vanilla 16.27%
    Savory 16.13%
    Smoky 15.88%
    Bitter 15.08%
    Milky 14.95%

     

    Flavor
    Bitter 93.03%
    Bland 30.75%
    Odorless 30.44%
    Sweet-like 23.07%
    Cedarleaf 19.5%
    Lovage 18.84%
    Parsley 18.58%
    Very mild 18.5%
    Nitrile 18.32%
    Eugenol 17.81%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    1.8 (strong acid)

    Molecular weight
    1224.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    4176°C

    Flash point

    • 269.84 ˚C est.

  • Synonyms

    • Guavin A
    • 105581-34-8
    • RefChem:144714
    • SCHEMBL30515229
    • DTXSID701319134
    • 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 3,4,5-trihydroxybenzoate
    • 105581-34-8

  • Applications

    Guavin A, CAS 105581-34-8, is regarded as an odorant/fragrance ingredient and may serve in perfumery and consumer products; it is also evaluated for cosmetic and personal care applications as a fragrance component; in industrial settings it can be used as an intermediate in organic synthesis or as an additive in formulations; it may be considered for use in coatings and inks and other household products with scent; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.74
    methanol 8.96
    isopropanol 1.57
    water 0.3
    ethyl acetate 2.7
    n-propanol 2.37
    acetone 5.9
    n-butanol 1.08
    acetonitrile 1.85
    DMF 174.14
    toluene 0.31
    isobutanol 0.77
    1,4-dioxane 15.59
    methyl acetate 6.17
    THF 22.76
    2-butanone 4.47
    n-pentanol 0.55
    sec-butanol 1.15
    n-hexane 0.01
    ethylene glycol 18.87
    NMP 90.84
    cyclohexane 0.02
    DMSO 64.83
    n-butyl acetate 0.96
    n-octanol 0.96
    chloroform 0.91
    n-propyl acetate 1.4
    acetic acid 29.88
    dichloromethane 1.27
    cyclohexanone 3.46
    propylene glycol 15.9
    isopropyl acetate 1.4
    DMAc 93.91
    2-ethoxyethanol 23.7
    isopentanol 0.46
    n-heptane 0.02
    ethyl formate 4.65
    1,2-dichloroethane 0.83
    n-hexanol 0.32
    2-methoxyethanol 78.08
    isobutyl acetate 0.41
    tetrachloromethane 0.1
    n-pentyl acetate 1.89
    transcutol 29.4
    n-heptanol 0.82
    ethylbenzene 0.09
    MIBK 0.71
    2-propoxyethanol 14.61
    tert-butanol 1.01
    MTBE 0.71
    2-butoxyethanol 11.13
    propionic acid 7.71
    o-xylene 0.2
    formic acid 63.09
    diethyl ether 1.04
    m-xylene 0.17
    p-xylene 0.1
    chlorobenzene 0.17
    dimethyl carbonate 15.06
    n-octane 0.02
    formamide 65.73
    cyclopentanone 13.48
    2-pentanone 2.21
    anisole 1.32
    cyclopentyl methyl ether 2.57
    gamma-butyrolactone 30.67
    1-methoxy-2-propanol 39.82
    pyridine 6.85
    3-pentanone 1.76
    furfural 31.71
    n-dodecane 0.02
    diethylene glycol 26.77
    diisopropyl ether 0.13
    tert-amyl alcohol 0.9
    acetylacetone 8.57
    n-hexadecane 0.02
    acetophenone 1.88
    methyl propionate 6.64
    isopentyl acetate 0.56
    trichloroethylene 2.79
    n-nonanol 1.01
    cyclohexanol 0.72
    benzyl alcohol 1.98
    2-ethylhexanol 0.18
    isooctanol 0.46
    dipropyl ether 0.9
    1,2-dichlorobenzene 0.2
    ethyl lactate 5.02
    propylene carbonate 7.57
    n-methylformamide 48.86
    2-pentanol 0.5
    n-pentane 0.01
    1-propoxy-2-propanol 9.02
    1-methoxy-2-propyl acetate 6.21
    2-(2-methoxypropoxy) propanol 9.13
    mesitylene 0.08
    ε-caprolactone 6.16
    p-cymene 0.09
    epichlorohydrin 16.16
    1,1,1-trichloroethane 0.27
    2-aminoethanol 14.51
    morpholine-4-carbaldehyde 124.92
    sulfolane 50.96
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.53
    n-hexyl acetate 1.91
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 13.57
    sec-butyl acetate 0.58
    tert-butyl acetate 1.38
    decalin 0.01
    glycerin 72.33
    diglyme 29.5
    acrylic acid 17.87
    isopropyl myristate 0.55
    n-butyric acid 4.43
    acetyl acetate 2.62
    di(2-ethylhexyl) phthalate 0.94
    ethyl propionate 1.59
    nitromethane 70.42
    1,2-diethoxyethane 3.68
    benzonitrile 0.83
    trioctyl phosphate 0.74
    1-bromopropane 0.18
    gamma-valerolactone 68.16
    n-decanol 0.6
    triethyl phosphate 0.89
    4-methyl-2-pentanol 0.19
    propionitrile 1.27
    vinylene carbonate 9.57
    1,1,2-trichlorotrifluoroethane 42.84
    DMS 4.24
    cumene 0.05
    2-octanol 0.53
    2-hexanone 0.88
    octyl acetate 1.2
    limonene 0.12
    1,2-dimethoxyethane 24.42
    ethyl orthosilicate 0.75
    tributyl phosphate 0.64
    diacetone alcohol 5.84
    N,N-dimethylaniline 1.04
    acrylonitrile 4.29
    aniline 1.35
    1,3-propanediol 14.51
    bromobenzene 0.12
    dibromomethane 0.31
    1,1,2,2-tetrachloroethane 2.08
    2-methyl-cyclohexyl acetate 0.62
    tetrabutyl urea 1.79
    diisobutyl methanol 0.13
    2-phenylethanol 1.0
    styrene 0.13
    dioctyl adipate 1.57
    dimethyl sulfate 34.19
    ethyl butyrate 1.23
    methyl lactate 25.09
    butyl lactate 4.47
    diethyl carbonate 0.99
    propanediol butyl ether 15.43
    triethyl orthoformate 1.72
    p-tert-butyltoluene 0.1
    methyl 4-tert-butylbenzoate 3.89
    morpholine 22.71
    tert-butylamine 0.23
    n-dodecanol 0.36
    dimethoxymethane 46.86
    ethylene carbonate 5.19
    cyrene 13.91
    2-ethoxyethyl acetate 7.03
    2-ethylhexyl acetate 0.41
    1,2,4-trichlorobenzene 0.48
    4-methylpyridine 3.02
    dibutyl ether 0.64
    2,6-dimethyl-4-heptanol 0.13
    DEF 8.96
    dimethyl isosorbide 12.0
    tetrachloroethylene 1.26
    eugenol 4.97
    triacetin 6.85
    span 80 8.33
    1,4-butanediol 3.98
    1,1-dichloroethane 0.37
    2-methyl-1-pentanol 0.25
    methyl formate 38.98
    2-methyl-1-butanol 0.58
    n-decane 0.03
    butyronitrile 0.7
    3,7-dimethyl-1-octanol 0.35
    1-chlorooctane 0.15
    1-chlorotetradecane 0.06
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 1.92
    tetrahydropyran 2.36
    tert-amyl methyl ether 0.77
    2,5,8-trioxanonane 18.85
    1-hexene 0.04
    2-isopropoxyethanol 7.39
    2,2,2-trifluoroethanol 16.32
    methyl butyrate 2.17

    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