Gambiriin A1

Overview IFRA Request a quote

  • Identifiers

    CAS number
    76250-49-2

    Molecular formula
    C30H28O12

    SMILES
    C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H](C3=CC(=C(C=C3)O)O)[C@H](CC4=C(C=C(C=C4O)O)O)O)O)O)C5=CC(=C(C=C5)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 71.38%
    Phenolic 45.35%
    Burnt 26.78%
    Smoky 23.53%
    Spicy 21.45%
    Savory 19.96%
    Vanilla 18.92%
    Balsamic 18.68%
    Medicinal 18.23%
    Bitter 15.99%

     

    Flavor
    Bitter 90.47%
    Odorless 34.91%
    Bland 30.24%
    Sweet-like 24.08%
    Mild 20.31%
    Cedarleaf 20.21%
    Nitrile 18.91%
    Parsley 18.77%
    Very strong 18.76%
    Eugenol 18.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    10.63 (weak base)

    Molecular weight
    580.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4041°C

    Flash point

    • 341.27 ˚C est.

  • Synonyms

    • Gambiriin A1
    • 3F3F5KRY7L
    • (2R,3S)-2-(3,4-Dihydroxyphenyl)-8-((1R,2S)-1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
    • 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-8-((1R,2S)-1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl)-3,4-dihydro-, (2R,3S)-
    • (2R,3S)-2-(3,4-Dihydroxyphenyl)-8-[(1R,2S)-1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
    • (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(1R,2S)-1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro-2H-chromene-3,5,7-triol
    • (2R,3S)-2-(3,4-dihydroxyphenyl)-8-((1R,2S)-1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl)-3,4-dihydro-2H-chromene-3,5,7-triol
    • RefChem:142241
    • UNII-3F3F5KRY7L
    • 76250-49-2
    • CHEMBL5220671
    • SCHEMBL29384380
    • CHEBI:81325
    • DTXSID101100266
    • C17772
    • Q27155263
    • 76250-49-2

  • Applications

    Gambiriin A1 (CAS 76250-49-2) may be evaluated for use as a fragrance component in perfumery; may be considered as an ingredient for cosmetics and personal care formulations; could be considered for household cleaning products; could function as an additive or stabilizer in coatings and inks; may serve as an intermediate in organic synthesis for industrial manufacturing; and could be used as a processing aid or additive in plastics and polymer formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.37
    methanol 57.76
    isopropanol 9.63
    water 0.1
    ethyl acetate 6.3
    n-propanol 21.56
    acetone 35.67
    n-butanol 8.94
    acetonitrile 4.0
    DMF 184.78
    toluene 0.33
    isobutanol 3.92
    1,4-dioxane 35.67
    methyl acetate 8.56
    THF 137.86
    2-butanone 22.86
    n-pentanol 2.97
    sec-butanol 5.58
    n-hexane 0.01
    ethylene glycol 29.62
    NMP 77.4
    cyclohexane 0.02
    DMSO 536.11
    n-butyl acetate 1.47
    n-octanol 1.97
    chloroform 0.59
    n-propyl acetate 2.4
    acetic acid 66.27
    dichloromethane 0.78
    cyclohexanone 14.97
    propylene glycol 38.41
    isopropyl acetate 2.6
    DMAc 122.6
    2-ethoxyethanol 83.52
    isopentanol 2.43
    n-heptane 0.02
    ethyl formate 13.04
    1,2-dichloroethane 1.07
    n-hexanol 1.02
    2-methoxyethanol 252.91
    isobutyl acetate 0.51
    tetrachloromethane 0.08
    n-pentyl acetate 2.15
    transcutol 33.11
    n-heptanol 1.7
    ethylbenzene 0.09
    MIBK 2.23
    2-propoxyethanol 33.84
    tert-butanol 3.36
    MTBE 1.54
    2-butoxyethanol 16.5
    propionic acid 13.01
    o-xylene 0.15
    formic acid 73.21
    diethyl ether 3.36
    m-xylene 0.13
    p-xylene 0.08
    chlorobenzene 0.17
    dimethyl carbonate 7.56
    n-octane 0.02
    formamide 86.92
    cyclopentanone 48.87
    2-pentanone 10.97
    anisole 1.22
    cyclopentyl methyl ether 4.24
    gamma-butyrolactone 53.11
    1-methoxy-2-propanol 92.97
    pyridine 13.5
    3-pentanone 4.53
    furfural 30.56
    n-dodecane 0.02
    diethylene glycol 40.31
    diisopropyl ether 0.18
    tert-amyl alcohol 2.78
    acetylacetone 19.04
    n-hexadecane 0.02
    acetophenone 1.76
    methyl propionate 9.81
    isopentyl acetate 0.82
    trichloroethylene 2.17
    n-nonanol 2.01
    cyclohexanol 1.89
    benzyl alcohol 2.61
    2-ethylhexanol 0.35
    isooctanol 0.82
    dipropyl ether 1.5
    1,2-dichlorobenzene 0.1
    ethyl lactate 4.65
    propylene carbonate 6.98
    n-methylformamide 90.3
    2-pentanol 1.74
    n-pentane 0.02
    1-propoxy-2-propanol 12.98
    1-methoxy-2-propyl acetate 6.55
    2-(2-methoxypropoxy) propanol 8.94
    mesitylene 0.06
    ε-caprolactone 14.12
    p-cymene 0.06
    epichlorohydrin 41.02
    1,1,1-trichloroethane 0.21
    2-aminoethanol 48.0
    morpholine-4-carbaldehyde 96.59
    sulfolane 90.64
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 12.09
    n-hexyl acetate 2.49
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 17.92
    sec-butyl acetate 0.78
    tert-butyl acetate 2.34
    decalin 0.01
    glycerin 83.05
    diglyme 32.75
    acrylic acid 16.17
    isopropyl myristate 0.72
    n-butyric acid 13.25
    acetyl acetate 2.99
    di(2-ethylhexyl) phthalate 0.86
    ethyl propionate 2.19
    nitromethane 102.7
    1,2-diethoxyethane 5.33
    benzonitrile 0.8
    trioctyl phosphate 0.92
    1-bromopropane 0.37
    gamma-valerolactone 158.66
    n-decanol 1.23
    triethyl phosphate 0.66
    4-methyl-2-pentanol 0.46
    propionitrile 2.95
    vinylene carbonate 6.55
    1,1,2-trichlorotrifluoroethane 41.82
    DMS 1.83
    cumene 0.04
    2-octanol 0.82
    2-hexanone 3.29
    octyl acetate 1.54
    limonene 0.12
    1,2-dimethoxyethane 65.95
    ethyl orthosilicate 0.61
    tributyl phosphate 0.78
    diacetone alcohol 11.91
    N,N-dimethylaniline 0.61
    acrylonitrile 6.5
    aniline 1.65
    1,3-propanediol 65.06
    bromobenzene 0.08
    dibromomethane 0.3
    1,1,2,2-tetrachloroethane 1.58
    2-methyl-cyclohexyl acetate 0.71
    tetrabutyl urea 2.14
    diisobutyl methanol 0.2
    2-phenylethanol 1.28
    styrene 0.11
    dioctyl adipate 1.67
    dimethyl sulfate 15.04
    ethyl butyrate 1.67
    methyl lactate 20.08
    butyl lactate 3.74
    diethyl carbonate 0.8
    propanediol butyl ether 15.39
    triethyl orthoformate 1.54
    p-tert-butyltoluene 0.07
    methyl 4-tert-butylbenzoate 2.39
    morpholine 70.4
    tert-butylamine 0.5
    n-dodecanol 0.72
    dimethoxymethane 82.02
    ethylene carbonate 4.88
    cyrene 13.52
    2-ethoxyethyl acetate 6.49
    2-ethylhexyl acetate 0.49
    1,2,4-trichlorobenzene 0.21
    4-methylpyridine 4.29
    dibutyl ether 1.14
    2,6-dimethyl-4-heptanol 0.2
    DEF 15.97
    dimethyl isosorbide 10.17
    tetrachloroethylene 0.97
    eugenol 3.45
    triacetin 3.39
    span 80 7.56
    1,4-butanediol 11.67
    1,1-dichloroethane 0.44
    2-methyl-1-pentanol 1.01
    methyl formate 56.68
    2-methyl-1-butanol 2.78
    n-decane 0.04
    butyronitrile 2.5
    3,7-dimethyl-1-octanol 0.69
    1-chlorooctane 0.23
    1-chlorotetradecane 0.08
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 6.19
    tetrahydropyran 9.7
    tert-amyl methyl ether 1.32
    2,5,8-trioxanonane 20.37
    1-hexene 0.08
    2-isopropoxyethanol 17.02
    2,2,2-trifluoroethanol 13.85
    methyl butyrate 4.2

    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