Guavin B

Overview IFRA Request a quote

  • Identifiers

    CAS number
    94530-90-2

    Molecular formula
    C33H26O17

    SMILES
    C1C2C(C(C(C(O2)OC3=CC(=C(C(=C3)O)C(=O)C4=CC=CC=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O

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  • Odor profile

    Fragrance
    Odorless 78.76%
    Phenolic 38.86%
    Burnt 24.41%
    Balsamic 21.23%
    Spicy 20.29%
    Vanilla 19.13%
    Smoky 18.81%
    Bitter 17.81%
    Savory 17.79%
    Milky 16.23%

     

    Flavor
    Bitter 92.1%
    Odorless 30.57%
    Bland 29.36%
    Sweet-like 23.02%
    Cedarleaf 20.31%
    Lovage 19.99%
    Parsley 19.47%
    Nitrile 19.16%
    Eugenol 18.68%
    Red fruit 18.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.64 (neutral)

    Molecular weight
    694.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    6319°C

    Flash point

    • 338.27 ˚C est.

  • Synonyms

    • Guavin B
    • RefChem:922595
    • 94530-90-2
    • 94530-90-2

  • Applications

    Guavin B (CAS 94530-90-2) is commonly evaluated as an odorant and fragrance ingredient for perfumery and cosmetics; it may be used as an intermediate in organic synthesis of specialty chemicals; it can act as a processing aid or fragrance additive in polymer/plastics formulations, coatings, and inks; it is also employed in household products as a fragrance component; its use in industrial manufacturing is typically as an intermediate or formulation aid, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.63
    methanol 10.23
    isopropanol 3.54
    water 0.23
    ethyl acetate 3.09
    n-propanol 5.19
    acetone 9.23
    n-butanol 2.04
    acetonitrile 1.96
    DMF 95.53
    toluene 0.46
    isobutanol 1.56
    1,4-dioxane 15.69
    methyl acetate 6.26
    THF 35.85
    2-butanone 7.99
    n-pentanol 1.08
    sec-butanol 2.57
    n-hexane 0.02
    ethylene glycol 20.8
    NMP 72.9
    cyclohexane 0.04
    DMSO 88.6
    n-butyl acetate 1.02
    n-octanol 1.44
    chloroform 0.77
    n-propyl acetate 1.4
    acetic acid 34.64
    dichloromethane 1.01
    cyclohexanone 6.02
    propylene glycol 23.94
    isopropyl acetate 1.41
    DMAc 84.08
    2-ethoxyethanol 21.85
    isopentanol 0.78
    n-heptane 0.04
    ethyl formate 4.06
    1,2-dichloroethane 0.93
    n-hexanol 0.59
    2-methoxyethanol 59.56
    isobutyl acetate 0.39
    tetrachloromethane 0.1
    n-pentyl acetate 2.0
    transcutol 23.06
    n-heptanol 1.26
    ethylbenzene 0.13
    MIBK 0.81
    2-propoxyethanol 13.74
    tert-butanol 1.85
    MTBE 1.04
    2-butoxyethanol 8.82
    propionic acid 10.82
    o-xylene 0.26
    formic acid 42.9
    diethyl ether 1.76
    m-xylene 0.19
    p-xylene 0.13
    chlorobenzene 0.2
    dimethyl carbonate 9.54
    n-octane 0.04
    formamide 42.61
    cyclopentanone 18.12
    2-pentanone 3.17
    anisole 1.01
    cyclopentyl methyl ether 3.28
    gamma-butyrolactone 28.7
    1-methoxy-2-propanol 36.52
    pyridine 7.67
    3-pentanone 2.6
    furfural 16.69
    n-dodecane 0.03
    diethylene glycol 21.32
    diisopropyl ether 0.18
    tert-amyl alcohol 1.58
    acetylacetone 7.24
    n-hexadecane 0.03
    acetophenone 1.39
    methyl propionate 7.21
    isopentyl acetate 0.55
    trichloroethylene 2.16
    n-nonanol 1.4
    cyclohexanol 1.33
    benzyl alcohol 1.94
    2-ethylhexanol 0.29
    isooctanol 0.68
    dipropyl ether 1.17
    1,2-dichlorobenzene 0.16
    ethyl lactate 3.69
    propylene carbonate 5.35
    n-methylformamide 34.41
    2-pentanol 0.91
    n-pentane 0.03
    1-propoxy-2-propanol 8.5
    1-methoxy-2-propyl acetate 4.31
    2-(2-methoxypropoxy) propanol 6.57
    mesitylene 0.08
    ε-caprolactone 7.33
    p-cymene 0.1
    epichlorohydrin 15.2
    1,1,1-trichloroethane 0.23
    2-aminoethanol 19.89
    morpholine-4-carbaldehyde 67.3
    sulfolane 46.03
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 5.99
    n-hexyl acetate 2.01
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 10.22
    sec-butyl acetate 0.58
    tert-butyl acetate 1.25
    decalin 0.01
    glycerin 58.47
    diglyme 17.64
    acrylic acid 18.08
    isopropyl myristate 0.61
    n-butyric acid 5.28
    acetyl acetate 1.94
    di(2-ethylhexyl) phthalate 0.8
    ethyl propionate 1.48
    nitromethane 47.64
    1,2-diethoxyethane 3.7
    benzonitrile 0.77
    trioctyl phosphate 0.77
    1-bromopropane 0.31
    gamma-valerolactone 55.34
    n-decanol 0.89
    triethyl phosphate 0.59
    4-methyl-2-pentanol 0.28
    propionitrile 1.72
    vinylene carbonate 5.64
    1,1,2-trichlorotrifluoroethane 29.67
    DMS 2.8
    cumene 0.06
    2-octanol 0.8
    2-hexanone 1.26
    octyl acetate 1.26
    limonene 0.16
    1,2-dimethoxyethane 17.92
    ethyl orthosilicate 0.51
    tributyl phosphate 0.64
    diacetone alcohol 5.68
    N,N-dimethylaniline 0.76
    acrylonitrile 4.18
    aniline 1.76
    1,3-propanediol 17.83
    bromobenzene 0.12
    dibromomethane 0.4
    1,1,2,2-tetrachloroethane 1.77
    2-methyl-cyclohexyl acetate 0.54
    tetrabutyl urea 1.61
    diisobutyl methanol 0.16
    2-phenylethanol 1.03
    styrene 0.17
    dioctyl adipate 1.27
    dimethyl sulfate 18.96
    ethyl butyrate 1.01
    methyl lactate 18.2
    butyl lactate 3.68
    diethyl carbonate 0.68
    propanediol butyl ether 12.81
    triethyl orthoformate 1.1
    p-tert-butyltoluene 0.1
    methyl 4-tert-butylbenzoate 2.48
    morpholine 25.67
    tert-butylamine 0.4
    n-dodecanol 0.56
    dimethoxymethane 34.03
    ethylene carbonate 3.85
    cyrene 10.55
    2-ethoxyethyl acetate 4.99
    2-ethylhexyl acetate 0.42
    1,2,4-trichlorobenzene 0.36
    4-methylpyridine 3.16
    dibutyl ether 0.88
    2,6-dimethyl-4-heptanol 0.16
    DEF 9.18
    dimethyl isosorbide 7.88
    tetrachloroethylene 1.19
    eugenol 3.18
    triacetin 4.24
    span 80 6.4
    1,4-butanediol 5.33
    1,1-dichloroethane 0.43
    2-methyl-1-pentanol 0.47
    methyl formate 23.8
    2-methyl-1-butanol 1.03
    n-decane 0.06
    butyronitrile 0.97
    3,7-dimethyl-1-octanol 0.48
    1-chlorooctane 0.24
    1-chlorotetradecane 0.08
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 3.79
    tetrahydropyran 4.56
    tert-amyl methyl ether 1.11
    2,5,8-trioxanonane 11.99
    1-hexene 0.09
    2-isopropoxyethanol 7.58
    2,2,2-trifluoroethanol 12.61
    methyl butyrate 1.96

    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