Hispidacin

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  • Identifiers

    CAS number
    82793-05-3

    Molecular formula
    C48H78O18

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC4CC[C@]5(C(C4(C)CO)CC[C@@]6(C5CC=C7[C@]6(CC[C@@]8([C@@H]7CC([C@H](C8)O)(C)C)C)C)C)C)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.31%
    Woody 42.87%
    Spicy 31.66%
    Sweet 31.22%
    Amber 26.13%
    Balsamic 24.92%
    Cooling 24.8%
    Dry 24.46%
    Mint 22.67%
    Warm 21.9%

     

    Flavor
    Bitter 57.23%
    Sweet 34.96%
    Odorless 30.62%
    Fatty 28.96%
    Sweet-like 27.17%
    Bland 22.92%
    Cedarleaf 21.99%
    Patchouli 21.55%
    Soil 21.01%
    Fir 20.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    3.68 (weak acid)

    Molecular weight
    943.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2396°C

    Flash point

    • 251.82 ˚C est.

  • Synonyms

    • Hispidacin
    • 82793-05-3
    • Soyasapogenol B-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranosyl(1-2)-beta-D-glucuronopyranoside
    • RefChem:146557
    • beta-D-Glucopyranosiduronic acid, (3beta,4beta,21alpha)-21,23-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-
    • 82793-05-3

  • Applications

    Hispidacin may be used as an intermediate in organic synthesis, notably for pharmaceutical and agrochemical compounds; it also serves as a building block for specialty chemicals used in coatings, inks, and plastics; in research contexts, it is employed as a test reagent and reference material for organic synthesis in academic and industrial settings; and it can be considered as a precursor for specialty materials in polymer and coating applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.31
    methanol 13.6
    isopropanol 0.35
    water 0.06
    ethyl acetate 0.43
    n-propanol 0.58
    acetone 1.98
    n-butanol 0.22
    acetonitrile 0.53
    DMF 18.57
    toluene 0.14
    isobutanol 0.2
    1,4-dioxane 3.4
    methyl acetate 0.75
    THF 5.07
    2-butanone 0.85
    n-pentanol 0.2
    sec-butanol 0.18
    n-hexane 0.01
    ethylene glycol 2.89
    NMP 11.79
    cyclohexane 0.01
    DMSO 22.9
    n-butyl acetate 0.25
    n-octanol 0.32
    chloroform 0.82
    n-propyl acetate 0.27
    acetic acid 8.16
    dichloromethane 0.86
    cyclohexanone 0.97
    propylene glycol 2.02
    isopropyl acetate 0.27
    DMAc 11.53
    2-ethoxyethanol 3.43
    isopentanol 0.13
    n-heptane 0.01
    ethyl formate 0.78
    1,2-dichloroethane 0.44
    n-hexanol 0.16
    2-methoxyethanol 8.67
    isobutyl acetate 0.16
    tetrachloromethane 0.11
    n-pentyl acetate 0.65
    transcutol 7.23
    n-heptanol 0.36
    ethylbenzene 0.06
    MIBK 0.31
    2-propoxyethanol 3.41
    tert-butanol 0.23
    MTBE 0.15
    2-butoxyethanol 2.82
    propionic acid 0.93
    o-xylene 0.11
    formic acid 15.76
    diethyl ether 0.27
    m-xylene 0.1
    p-xylene 0.08
    chlorobenzene 0.15
    dimethyl carbonate 1.71
    n-octane 0.01
    formamide 10.7
    cyclopentanone 2.54
    2-pentanone 0.54
    anisole 0.39
    cyclopentyl methyl ether 0.52
    gamma-butyrolactone 3.52
    1-methoxy-2-propanol 3.72
    pyridine 1.55
    3-pentanone 0.44
    furfural 5.36
    n-dodecane 0.01
    diethylene glycol 6.11
    diisopropyl ether 0.05
    tert-amyl alcohol 0.16
    acetylacetone 1.99
    n-hexadecane 0.01
    acetophenone 0.63
    methyl propionate 0.81
    isopentyl acetate 0.23
    trichloroethylene 1.34
    n-nonanol 0.32
    cyclohexanol 0.14
    benzyl alcohol 0.58
    2-ethylhexanol 0.08
    isooctanol 0.24
    dipropyl ether 0.22
    1,2-dichlorobenzene 0.17
    ethyl lactate 0.71
    propylene carbonate 1.03
    n-methylformamide 7.55
    2-pentanol 0.09
    n-pentane 0.01
    1-propoxy-2-propanol 1.53
    1-methoxy-2-propyl acetate 1.28
    2-(2-methoxypropoxy) propanol 2.28
    mesitylene 0.06
    ε-caprolactone 1.0
    p-cymene 0.06
    epichlorohydrin 3.43
    1,1,1-trichloroethane 0.18
    2-aminoethanol 2.65
    morpholine-4-carbaldehyde 14.4
    sulfolane 9.77
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.61
    n-hexyl acetate 0.65
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.35
    sec-butyl acetate 0.14
    tert-butyl acetate 0.35
    decalin 0.01
    glycerin 7.18
    diglyme 6.94
    acrylic acid 2.3
    isopropyl myristate 0.15
    n-butyric acid 0.63
    acetyl acetate 0.65
    di(2-ethylhexyl) phthalate 0.44
    ethyl propionate 0.25
    nitromethane 11.62
    1,2-diethoxyethane 0.9
    benzonitrile 0.35
    trioctyl phosphate 0.26
    1-bromopropane 0.09
    gamma-valerolactone 9.82
    n-decanol 0.18
    triethyl phosphate 0.2
    4-methyl-2-pentanol 0.07
    propionitrile 0.27
    vinylene carbonate 1.44
    1,1,2-trichlorotrifluoroethane 8.97
    DMS 0.86
    cumene 0.05
    2-octanol 0.18
    2-hexanone 0.33
    octyl acetate 0.3
    limonene 0.07
    1,2-dimethoxyethane 4.06
    ethyl orthosilicate 0.18
    tributyl phosphate 0.18
    diacetone alcohol 1.16
    N,N-dimethylaniline 0.36
    acrylonitrile 0.75
    aniline 0.31
    1,3-propanediol 1.79
    bromobenzene 0.12
    dibromomethane 0.31
    1,1,2,2-tetrachloroethane 0.93
    2-methyl-cyclohexyl acetate 0.26
    tetrabutyl urea 0.43
    diisobutyl methanol 0.06
    2-phenylethanol 0.54
    styrene 0.07
    dioctyl adipate 0.41
    dimethyl sulfate 4.18
    ethyl butyrate 0.23
    methyl lactate 2.4
    butyl lactate 1.05
    diethyl carbonate 0.16
    propanediol butyl ether 3.48
    triethyl orthoformate 0.31
    p-tert-butyltoluene 0.06
    methyl 4-tert-butylbenzoate 1.48
    morpholine 3.16
    tert-butylamine 0.06
    n-dodecanol 0.1
    dimethoxymethane 7.63
    ethylene carbonate 0.79
    cyrene 4.38
    2-ethoxyethyl acetate 1.97
    2-ethylhexyl acetate 0.16
    1,2,4-trichlorobenzene 0.3
    4-methylpyridine 0.67
    dibutyl ether 0.15
    2,6-dimethyl-4-heptanol 0.06
    DEF 1.14
    dimethyl isosorbide 3.71
    tetrachloroethylene 0.85
    eugenol 1.75
    triacetin 1.76
    span 80 2.03
    1,4-butanediol 0.83
    1,1-dichloroethane 0.19
    2-methyl-1-pentanol 0.12
    methyl formate 6.96
    2-methyl-1-butanol 0.13
    n-decane 0.02
    butyronitrile 0.17
    3,7-dimethyl-1-octanol 0.14
    1-chlorooctane 0.07
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.29
    tetrahydropyran 0.56
    tert-amyl methyl ether 0.15
    2,5,8-trioxanonane 4.42
    1-hexene 0.03
    2-isopropoxyethanol 1.4
    2,2,2-trifluoroethanol 3.14
    methyl butyrate 0.36

    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