Guajavin A

Overview IFRA Request a quote

  • Identifiers

    CAS number
    145826-24-0

    Molecular formula
    C56H40O32

    SMILES
    C1C(C(OC2=C1C(=CC(=C2C3C4C(OC(=O)C5=CC(=C(C(=C5C6=C(C3=C(C(=C6O)O)O)C(=O)O4)O)O)O)C7C(COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)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)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 79.21%
    Phenolic 38.11%
    Burnt 26.32%
    Smoky 17.94%
    Balsamic 17.24%
    Spicy 16.2%
    Savory 15.66%
    Medicinal 14.1%
    Bitter 13.31%
    Vanilla 13.05%

     

    Flavor
    Bitter 92.62%
    Odorless 31.88%
    Bland 30.29%
    Sweet-like 23.28%
    Cedarleaf 19.79%
    Lovage 18.99%
    Parsley 18.91%
    Nitrile 18.66%
    Eugenol 18.61%
    Rotten 18.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    3.91 (weak acid)

    Molecular weight
    1224.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    3960°C

    Flash point

    • 293.63 ˚C est.

  • Synonyms

    • Guajavin A
    • SCHEMBL30515224
    • DTXSID001318547
    • 145826-24-0
    • 7-{1,2,3,12,13,14-Hexahydroxy-5,10-dioxo-15-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7,8,10-tetrahydro-4,7-methanodibenzo[f,h][1,4]dioxecin-8-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
    • 145826-24-0

  • Applications

    Guajavin A (CAS 145826-24-0) is used as an aroma-related ingredient and may function as a fragrance component or fixative in perfumery, and it is also evaluated for use in cosmetics/personal care formulations as a fragrance additive or stabilizer. It can serve as an intermediate or specialty chemical in industrial manufacturing, and to that end may act as a processing aid or stabilizer in polymers/plastics. In coatings and inks, it can be added as an additive to influence odor profiles or formulation properties. It may also be employed in household and cleaning products as a scenting agent, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.15
    methanol 2.01
    isopropanol 0.54
    water 0.12
    ethyl acetate 1.11
    n-propanol 0.82
    acetone 1.67
    n-butanol 0.37
    acetonitrile 0.56
    DMF 52.16
    toluene 0.15
    isobutanol 0.28
    1,4-dioxane 6.78
    methyl acetate 2.28
    THF 10.02
    2-butanone 1.67
    n-pentanol 0.19
    sec-butanol 0.46
    n-hexane 0.0
    ethylene glycol 6.69
    NMP 41.57
    cyclohexane 0.01
    DMSO 22.28
    n-butyl acetate 0.41
    n-octanol 0.44
    chloroform 0.28
    n-propyl acetate 0.56
    acetic acid 9.07
    dichloromethane 0.39
    cyclohexanone 1.14
    propylene glycol 6.54
    isopropyl acetate 0.59
    DMAc 37.51
    2-ethoxyethanol 9.99
    isopentanol 0.17
    n-heptane 0.01
    ethyl formate 1.35
    1,2-dichloroethane 0.29
    n-hexanol 0.12
    2-methoxyethanol 30.98
    isobutyl acetate 0.15
    tetrachloromethane 0.04
    n-pentyl acetate 0.84
    transcutol 17.03
    n-heptanol 0.39
    ethylbenzene 0.04
    MIBK 0.25
    2-propoxyethanol 6.66
    tert-butanol 0.41
    MTBE 0.34
    2-butoxyethanol 5.73
    propionic acid 3.0
    o-xylene 0.11
    formic acid 17.49
    diethyl ether 0.45
    m-xylene 0.08
    p-xylene 0.05
    chlorobenzene 0.06
    dimethyl carbonate 5.96
    n-octane 0.01
    formamide 19.86
    cyclopentanone 4.72
    2-pentanone 0.8
    anisole 0.52
    cyclopentyl methyl ether 1.19
    gamma-butyrolactone 11.98
    1-methoxy-2-propanol 17.92
    pyridine 2.78
    3-pentanone 0.71
    furfural 11.9
    n-dodecane 0.01
    diethylene glycol 11.57
    diisopropyl ether 0.07
    tert-amyl alcohol 0.39
    acetylacetone 2.95
    n-hexadecane 0.01
    acetophenone 0.69
    methyl propionate 2.81
    isopentyl acetate 0.23
    trichloroethylene 0.88
    n-nonanol 0.47
    cyclohexanol 0.28
    benzyl alcohol 0.71
    2-ethylhexanol 0.08
    isooctanol 0.23
    dipropyl ether 0.5
    1,2-dichlorobenzene 0.07
    ethyl lactate 2.17
    propylene carbonate 2.55
    n-methylformamide 14.72
    2-pentanol 0.2
    n-pentane 0.01
    1-propoxy-2-propanol 4.57
    1-methoxy-2-propyl acetate 2.95
    2-(2-methoxypropoxy) propanol 4.77
    mesitylene 0.04
    ε-caprolactone 2.28
    p-cymene 0.04
    epichlorohydrin 6.43
    1,1,1-trichloroethane 0.09
    2-aminoethanol 5.48
    morpholine-4-carbaldehyde 57.53
    sulfolane 19.9
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.67
    n-hexyl acetate 0.87
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 7.5
    sec-butyl acetate 0.24
    tert-butyl acetate 0.64
    decalin 0.0
    glycerin 32.54
    diglyme 16.13
    acrylic acid 6.31
    isopropyl myristate 0.25
    n-butyric acid 1.55
    acetyl acetate 0.94
    di(2-ethylhexyl) phthalate 0.39
    ethyl propionate 0.68
    nitromethane 19.69
    1,2-diethoxyethane 1.81
    benzonitrile 0.27
    trioctyl phosphate 0.32
    1-bromopropane 0.08
    gamma-valerolactone 26.65
    n-decanol 0.28
    triethyl phosphate 0.43
    4-methyl-2-pentanol 0.08
    propionitrile 0.42
    vinylene carbonate 2.88
    1,1,2-trichlorotrifluoroethane 18.62
    DMS 1.84
    cumene 0.02
    2-octanol 0.25
    2-hexanone 0.33
    octyl acetate 0.53
    limonene 0.06
    1,2-dimethoxyethane 10.25
    ethyl orthosilicate 0.4
    tributyl phosphate 0.26
    diacetone alcohol 2.61
    N,N-dimethylaniline 0.47
    acrylonitrile 1.33
    aniline 0.57
    1,3-propanediol 5.23
    bromobenzene 0.04
    dibromomethane 0.11
    1,1,2,2-tetrachloroethane 0.73
    2-methyl-cyclohexyl acetate 0.25
    tetrabutyl urea 0.75
    diisobutyl methanol 0.06
    2-phenylethanol 0.39
    styrene 0.06
    dioctyl adipate 0.69
    dimethyl sulfate 14.36
    ethyl butyrate 0.51
    methyl lactate 10.78
    butyl lactate 2.07
    diethyl carbonate 0.42
    propanediol butyl ether 8.1
    triethyl orthoformate 0.86
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 1.94
    morpholine 10.29
    tert-butylamine 0.1
    n-dodecanol 0.17
    dimethoxymethane 18.02
    ethylene carbonate 1.64
    cyrene 6.38
    2-ethoxyethyl acetate 3.18
    2-ethylhexyl acetate 0.18
    1,2,4-trichlorobenzene 0.18
    4-methylpyridine 1.2
    dibutyl ether 0.33
    2,6-dimethyl-4-heptanol 0.06
    DEF 3.47
    dimethyl isosorbide 5.94
    tetrachloroethylene 0.43
    eugenol 2.28
    triacetin 3.36
    span 80 4.37
    1,4-butanediol 1.31
    1,1-dichloroethane 0.12
    2-methyl-1-pentanol 0.1
    methyl formate 10.95
    2-methyl-1-butanol 0.22
    n-decane 0.02
    butyronitrile 0.23
    3,7-dimethyl-1-octanol 0.15
    1-chlorooctane 0.08
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.81
    tetrahydropyran 1.01
    tert-amyl methyl ether 0.4
    2,5,8-trioxanonane 10.22
    1-hexene 0.02
    2-isopropoxyethanol 3.29
    2,2,2-trifluoroethanol 5.77
    methyl butyrate 0.84

    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