Rhamnalpinogenin

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  • Identifiers

    CAS number
    95796-47-7

    Molecular formula
    C17H12O7

    SMILES
    CC1=C2C(=CC(=C1C(=O)O)OC)C(=O)C3=C(C2=O)C(=CC(=C3)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.78%
    Phenolic 40.54%
    Sweet 26.95%
    Dry 26.64%
    Balsamic 24.82%
    Burnt 23.33%
    Powdery 22.68%
    Bitter 21.43%
    Vanilla 20.48%
    Spicy 20.41%

     

    Flavor
    Bitter 88.33%
    Odorless 36.73%
    Bland 24.89%
    Sweet-like 20.36%
    Cedarleaf 20.11%
    Lovage 19.85%
    Nitrile 19.83%
    Parsley 19.61%
    Very strong 19.09%
    Ripe apricot 19.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.84 (neutral)

    Molecular weight
    328.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1033°C

    Flash point

    • 298.26 ˚C est.

  • Synonyms

    • Rhamnalpinogenin
    • DTXSID101128793
    • 6,8-Dihydroxy-3-methoxy-1-methylanthraquinone-2-carboxylic acid
    • 6,8-Dihydroxy-3-methoxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
    • 9,10-Dihydro-6,8-dihydroxy-3-methoxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid
    • 95796-47-7
    • 95796-47-7

  • Applications

    Rhamnalpinogenin (CAS 95796-47-7) is viewed as an aroma chemical with potential applications in fragrance and related sectors; it may be used as an odorant or scent component in perfumery and personal care formulations; it is also considered for household and cleaning products where it contributes fragrance; in industrial manufacturing, it can serve as an intermediate or building block for the synthesis of specialty chemicals; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.02
    methanol 1.0
    isopropanol 0.94
    water 0.0
    ethyl acetate 2.57
    n-propanol 1.23
    acetone 3.13
    n-butanol 1.12
    acetonitrile 1.59
    DMF 36.29
    toluene 0.44
    isobutanol 0.77
    1,4-dioxane 6.77
    methyl acetate 2.86
    THF 33.79
    2-butanone 4.04
    n-pentanol 1.33
    sec-butanol 0.83
    n-hexane 0.06
    ethylene glycol 1.88
    NMP 40.61
    cyclohexane 0.03
    DMSO 83.25
    n-butyl acetate 3.3
    n-octanol 1.37
    chloroform 0.91
    n-propyl acetate 3.43
    acetic acid 2.18
    dichloromethane 1.12
    cyclohexanone 8.09
    propylene glycol 1.57
    isopropyl acetate 2.15
    DMAc 37.62
    2-ethoxyethanol 9.14
    isopentanol 1.28
    n-heptane 0.05
    ethyl formate 2.03
    1,2-dichloroethane 1.64
    n-hexanol 1.42
    2-methoxyethanol 17.13
    isobutyl acetate 1.67
    tetrachloromethane 0.12
    n-pentyl acetate 2.75
    transcutol 9.44
    n-heptanol 1.75
    ethylbenzene 0.48
    MIBK 2.78
    2-propoxyethanol 16.32
    tert-butanol 1.88
    MTBE 0.67
    2-butoxyethanol 7.57
    propionic acid 1.96
    o-xylene 0.45
    formic acid 3.41
    diethyl ether 0.96
    m-xylene 0.51
    p-xylene 0.64
    chlorobenzene 0.45
    dimethyl carbonate 5.4
    n-octane 0.04
    formamide 7.5
    cyclopentanone 18.65
    2-pentanone 3.73
    anisole 2.2
    cyclopentyl methyl ether 4.29
    gamma-butyrolactone 21.06
    1-methoxy-2-propanol 13.27
    pyridine 4.58
    3-pentanone 2.77
    furfural 12.96
    n-dodecane 0.06
    diethylene glycol 17.77
    diisopropyl ether 0.28
    tert-amyl alcohol 1.41
    acetylacetone 6.93
    n-hexadecane 0.08
    acetophenone 3.58
    methyl propionate 5.26
    isopentyl acetate 3.07
    trichloroethylene 3.15
    n-nonanol 1.63
    cyclohexanol 1.36
    benzyl alcohol 2.45
    2-ethylhexanol 1.17
    isooctanol 1.46
    dipropyl ether 1.95
    1,2-dichlorobenzene 0.71
    ethyl lactate 4.42
    propylene carbonate 5.62
    n-methylformamide 9.93
    2-pentanol 0.72
    n-pentane 0.03
    1-propoxy-2-propanol 9.34
    1-methoxy-2-propyl acetate 7.94
    2-(2-methoxypropoxy) propanol 8.27
    mesitylene 0.34
    ε-caprolactone 7.41
    p-cymene 0.56
    epichlorohydrin 20.23
    1,1,1-trichloroethane 0.67
    2-aminoethanol 2.51
    morpholine-4-carbaldehyde 29.75
    sulfolane 50.09
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 5.82
    n-hexyl acetate 2.93
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 8.67
    sec-butyl acetate 1.79
    tert-butyl acetate 3.06
    decalin 0.06
    glycerin 8.01
    diglyme 15.38
    acrylic acid 2.85
    isopropyl myristate 1.63
    n-butyric acid 2.3
    acetyl acetate 1.66
    di(2-ethylhexyl) phthalate 2.57
    ethyl propionate 3.95
    nitromethane 10.46
    1,2-diethoxyethane 3.44
    benzonitrile 2.14
    trioctyl phosphate 2.41
    1-bromopropane 0.65
    gamma-valerolactone 27.82
    n-decanol 1.34
    triethyl phosphate 2.88
    4-methyl-2-pentanol 0.73
    propionitrile 2.47
    vinylene carbonate 4.91
    1,1,2-trichlorotrifluoroethane 15.01
    DMS 4.47
    cumene 0.39
    2-octanol 1.15
    2-hexanone 4.4
    octyl acetate 2.36
    limonene 0.62
    1,2-dimethoxyethane 18.28
    ethyl orthosilicate 2.34
    tributyl phosphate 2.29
    diacetone alcohol 8.56
    N,N-dimethylaniline 2.11
    acrylonitrile 4.85
    aniline 1.39
    1,3-propanediol 4.19
    bromobenzene 0.39
    dibromomethane 0.66
    1,1,2,2-tetrachloroethane 2.97
    2-methyl-cyclohexyl acetate 3.17
    tetrabutyl urea 4.5
    diisobutyl methanol 0.95
    2-phenylethanol 3.3
    styrene 0.44
    dioctyl adipate 3.06
    dimethyl sulfate 15.92
    ethyl butyrate 3.06
    methyl lactate 8.05
    butyl lactate 3.52
    diethyl carbonate 2.27
    propanediol butyl ether 4.78
    triethyl orthoformate 3.11
    p-tert-butyltoluene 0.54
    methyl 4-tert-butylbenzoate 5.88
    morpholine 11.01
    tert-butylamine 0.53
    n-dodecanol 0.99
    dimethoxymethane 20.04
    ethylene carbonate 4.08
    cyrene 13.26
    2-ethoxyethyl acetate 4.66
    2-ethylhexyl acetate 2.45
    1,2,4-trichlorobenzene 1.12
    4-methylpyridine 3.56
    dibutyl ether 1.35
    2,6-dimethyl-4-heptanol 0.95
    DEF 7.9
    dimethyl isosorbide 18.21
    tetrachloroethylene 1.52
    eugenol 7.11
    triacetin 4.14
    span 80 5.38
    1,4-butanediol 1.86
    1,1-dichloroethane 0.62
    2-methyl-1-pentanol 1.28
    methyl formate 6.55
    2-methyl-1-butanol 1.05
    n-decane 0.09
    butyronitrile 1.83
    3,7-dimethyl-1-octanol 1.13
    1-chlorooctane 0.5
    1-chlorotetradecane 0.27
    n-nonane 0.07
    undecane 0.08
    tert-butylcyclohexane 0.05
    cyclooctane 0.02
    cyclopentanol 2.36
    tetrahydropyran 2.71
    tert-amyl methyl ether 1.03
    2,5,8-trioxanonane 14.16
    1-hexene 0.33
    2-isopropoxyethanol 5.66
    2,2,2-trifluoroethanol 2.02
    methyl butyrate 4.86

    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