Acutoside A

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  • Identifiers

    CAS number
    58231-99-5

    Molecular formula
    C42H68O13

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 53.67%
    Odorless 42.65%
    Amber 35.66%
    Spicy 35.62%
    Balsamic 33.81%
    Dry 32.0%
    Sweet 28.36%
    Cedar 27.14%
    Cooling 26.01%
    Sandalwood 25.45%

     

    Flavor
    Bitter 50.74%
    Sweet 32.67%
    Odorless 27.56%
    Pine 25.48%
    Sweet-like 25.16%
    Woody 24.93%
    Fatty 24.65%
    Balsam 24.05%
    Herbal 22.77%
    Patchouli 22.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    3.64 (weak acid)

    Molecular weight
    781.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    607°C

    Flash point

    • 274.08 ˚C est.

  • Synonyms

    • ACUTOSIDE A
    • (3beta)-3-{[2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}olean-12-en-28-oic acid
    • Hederoside E2
    • CHEMBL504527
    • SCHEMBL29935143
    • CHEBI:65370
    • DTXSID501317720
    • 58231-99-5
    • Q27133812
    • Oleanolic acid 3-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside
    • 3beta-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]olean-12-en-28-oic acid
    • (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • 58231-99-5

  • Applications

    Acutoside A (CAS 58231-99-5) is a natural-product-type compound that may be used as an intermediate for chemical synthesis and as a starting material for natural-product–derived derivatives. It is sometimes evaluated for cosmetics and personal care applications as a naturally derived ingredient or formulation aid. In pharmaceutical research, it can serve as a building block for active compounds. It has been explored as a specialty additive or modifier in coatings/inks and in polymer formulations, where it may act as a processing aid or stabilizer. It could also appear in cleaning formulations or household products as part of formulation blends, depending on regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.79
    methanol 16.67
    isopropanol 0.51
    water 0.04
    ethyl acetate 1.42
    n-propanol 0.94
    acetone 3.18
    n-butanol 0.38
    acetonitrile 0.9
    DMF 36.24
    toluene 0.55
    isobutanol 0.35
    1,4-dioxane 8.19
    methyl acetate 1.83
    THF 17.77
    2-butanone 1.88
    n-pentanol 0.39
    sec-butanol 0.31
    n-hexane 0.02
    ethylene glycol 2.89
    NMP 35.5
    cyclohexane 0.04
    DMSO 28.01
    n-butyl acetate 0.68
    n-octanol 0.49
    chloroform 2.79
    n-propyl acetate 0.77
    acetic acid 17.49
    dichloromethane 2.49
    cyclohexanone 2.59
    propylene glycol 2.81
    isopropyl acetate 0.95
    DMAc 28.33
    2-ethoxyethanol 6.58
    isopentanol 0.24
    n-heptane 0.03
    ethyl formate 1.43
    1,2-dichloroethane 1.16
    n-hexanol 0.34
    2-methoxyethanol 16.06
    isobutyl acetate 0.44
    tetrachloromethane 0.33
    n-pentyl acetate 1.36
    transcutol 14.52
    n-heptanol 0.6
    ethylbenzene 0.21
    MIBK 0.75
    2-propoxyethanol 7.69
    tert-butanol 0.41
    MTBE 0.44
    2-butoxyethanol 4.93
    propionic acid 2.15
    o-xylene 0.38
    formic acid 19.65
    diethyl ether 0.68
    m-xylene 0.4
    p-xylene 0.26
    chlorobenzene 0.55
    dimethyl carbonate 4.77
    n-octane 0.02
    formamide 15.44
    cyclopentanone 7.84
    2-pentanone 1.23
    anisole 1.21
    cyclopentyl methyl ether 2.29
    gamma-butyrolactone 12.59
    1-methoxy-2-propanol 8.01
    pyridine 4.44
    3-pentanone 1.22
    furfural 12.63
    n-dodecane 0.01
    diethylene glycol 10.02
    diisopropyl ether 0.15
    tert-amyl alcohol 0.32
    acetylacetone 5.12
    n-hexadecane 0.02
    acetophenone 1.8
    methyl propionate 2.52
    isopentyl acetate 0.59
    trichloroethylene 4.43
    n-nonanol 0.53
    cyclohexanol 0.36
    benzyl alcohol 1.47
    2-ethylhexanol 0.18
    isooctanol 0.41
    dipropyl ether 0.58
    1,2-dichlorobenzene 0.63
    ethyl lactate 1.59
    propylene carbonate 3.54
    n-methylformamide 13.23
    2-pentanol 0.19
    n-pentane 0.02
    1-propoxy-2-propanol 3.65
    1-methoxy-2-propyl acetate 3.72
    2-(2-methoxypropoxy) propanol 3.95
    mesitylene 0.21
    ε-caprolactone 3.03
    p-cymene 0.18
    epichlorohydrin 10.45
    1,1,1-trichloroethane 0.68
    2-aminoethanol 3.87
    morpholine-4-carbaldehyde 37.02
    sulfolane 26.61
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.25
    n-hexyl acetate 1.38
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.83
    sec-butyl acetate 0.43
    tert-butyl acetate 1.19
    decalin 0.02
    glycerin 9.6
    diglyme 12.3
    acrylic acid 5.29
    isopropyl myristate 0.33
    n-butyric acid 1.6
    acetyl acetate 2.1
    di(2-ethylhexyl) phthalate 0.78
    ethyl propionate 0.78
    nitromethane 23.73
    1,2-diethoxyethane 2.01
    benzonitrile 0.81
    trioctyl phosphate 0.46
    1-bromopropane 0.27
    gamma-valerolactone 26.28
    n-decanol 0.29
    triethyl phosphate 0.56
    4-methyl-2-pentanol 0.15
    propionitrile 0.54
    vinylene carbonate 4.43
    1,1,2-trichlorotrifluoroethane 20.52
    DMS 2.2
    cumene 0.14
    2-octanol 0.28
    2-hexanone 0.75
    octyl acetate 0.64
    limonene 0.2
    1,2-dimethoxyethane 7.78
    ethyl orthosilicate 0.51
    tributyl phosphate 0.37
    diacetone alcohol 2.82
    N,N-dimethylaniline 1.09
    acrylonitrile 1.55
    aniline 0.94
    1,3-propanediol 2.68
    bromobenzene 0.5
    dibromomethane 0.94
    1,1,2,2-tetrachloroethane 2.99
    2-methyl-cyclohexyl acetate 0.74
    tetrabutyl urea 0.8
    diisobutyl methanol 0.14
    2-phenylethanol 1.38
    styrene 0.25
    dioctyl adipate 0.86
    dimethyl sulfate 11.18
    ethyl butyrate 0.67
    methyl lactate 5.66
    butyl lactate 1.97
    diethyl carbonate 0.47
    propanediol butyl ether 5.73
    triethyl orthoformate 0.9
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 3.35
    morpholine 8.57
    tert-butylamine 0.12
    n-dodecanol 0.16
    dimethoxymethane 19.32
    ethylene carbonate 2.45
    cyrene 8.82
    2-ethoxyethyl acetate 4.06
    2-ethylhexyl acetate 0.44
    1,2,4-trichlorobenzene 1.09
    4-methylpyridine 2.08
    dibutyl ether 0.3
    2,6-dimethyl-4-heptanol 0.14
    DEF 3.1
    dimethyl isosorbide 8.37
    tetrachloroethylene 2.38
    eugenol 3.34
    triacetin 3.95
    span 80 3.71
    1,4-butanediol 1.2
    1,1-dichloroethane 0.64
    2-methyl-1-pentanol 0.22
    methyl formate 11.56
    2-methyl-1-butanol 0.24
    n-decane 0.03
    butyronitrile 0.32
    3,7-dimethyl-1-octanol 0.28
    1-chlorooctane 0.16
    1-chlorotetradecane 0.04
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 0.87
    tetrahydropyran 1.75
    tert-amyl methyl ether 0.41
    2,5,8-trioxanonane 7.38
    1-hexene 0.07
    2-isopropoxyethanol 2.62
    2,2,2-trifluoroethanol 5.76
    methyl butyrate 0.96

    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