Acutoside C

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  • Identifiers

    CAS number
    135575-15-4

    Molecular formula
    C58H94O26

    SMILES
    CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC5(C(=CCC6C5(CCC7C6(CCC(C7(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C3CC(C(C4)O)(C)C)C)O)O)O)O)OC1C(C(C(CO1)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.52%
    Woody 38.09%
    Sweet 34.95%
    Spicy 27.55%
    Cooling 24.57%
    Balsamic 22.23%
    Mint 20.85%
    Dry 20.73%
    Amber 20.53%
    Warm 20.49%

     

    Flavor
    Bitter 56.68%
    Sweet 38.28%
    Odorless 33.02%
    Fatty 32.72%
    Sweet-like 28.78%
    Bland 24.4%
    Cedarleaf 21.31%
    Metallic 20.87%
    Patchouli 20.7%
    Cauliflower 20.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    3.59 (weak acid)

    Molecular weight
    1207.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3551°C

    Melting point expt.

    • 220 - 225 °C

    Flash point

    • 196.36 ˚C est.

  • Synonyms

    • Acutoside C
    • DTXSID101098641
    • 135575-15-4
    • Olean-12-en-28-oic acid, 3-[(2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-21-hydroxy-, O-I(2)-D-xylopyranosyl-(1a4)-O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-I+/--L-arabinopyranosyl ester, (3I(2),21I(2))-
    • 135575-15-4

  • Applications

    Acutoside C (CAS 135575-15-4) is a specialty chemical primarily encountered as an intermediate and processing additive in various industrial formulations. In perfumery and cosmetics, it is used as an odor-active ingredient and a building block for fragrance compounds. In coatings and inks, it can function as a specialty additive or chemical precursor for resin systems. In the polymers/plastics sector, it may be explored as a minor modifier or processing aid to influence formulation properties. In general manufacturing contexts, it is evaluated for use as an intermediate in synthetic pathways to more complex molecules, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.22
    methanol 38.08
    isopropanol 1.13
    water 0.2
    ethyl acetate 3.3
    n-propanol 1.77
    acetone 6.05
    n-butanol 0.72
    acetonitrile 2.54
    DMF 88.37
    toluene 0.81
    isobutanol 0.66
    1,4-dioxane 14.57
    methyl acetate 4.63
    THF 24.62
    2-butanone 3.49
    n-pentanol 0.63
    sec-butanol 0.68
    n-hexane 0.03
    ethylene glycol 9.66
    NMP 74.42
    cyclohexane 0.07
    DMSO 75.51
    n-butyl acetate 1.32
    n-octanol 0.97
    chloroform 5.52
    n-propyl acetate 1.45
    acetic acid 46.49
    dichloromethane 5.34
    cyclohexanone 4.57
    propylene glycol 7.81
    isopropyl acetate 1.85
    DMAc 63.49
    2-ethoxyethanol 12.67
    isopentanol 0.42
    n-heptane 0.06
    ethyl formate 3.8
    1,2-dichloroethane 2.31
    n-hexanol 0.59
    2-methoxyethanol 32.97
    isobutyl acetate 0.73
    tetrachloromethane 0.61
    n-pentyl acetate 2.44
    transcutol 24.97
    n-heptanol 1.11
    ethylbenzene 0.28
    MIBK 1.15
    2-propoxyethanol 12.59
    tert-butanol 0.88
    MTBE 0.77
    2-butoxyethanol 8.63
    propionic acid 5.66
    o-xylene 0.6
    formic acid 70.93
    diethyl ether 1.23
    m-xylene 0.56
    p-xylene 0.37
    chlorobenzene 0.9
    dimethyl carbonate 13.42
    n-octane 0.04
    formamide 49.03
    cyclopentanone 13.24
    2-pentanone 2.24
    anisole 1.89
    cyclopentyl methyl ether 3.56
    gamma-butyrolactone 25.31
    1-methoxy-2-propanol 16.21
    pyridine 7.78
    3-pentanone 2.25
    furfural 29.27
    n-dodecane 0.03
    diethylene glycol 20.5
    diisopropyl ether 0.25
    tert-amyl alcohol 0.66
    acetylacetone 10.38
    n-hexadecane 0.03
    acetophenone 2.98
    methyl propionate 6.05
    isopentyl acetate 0.99
    trichloroethylene 8.87
    n-nonanol 1.03
    cyclohexanol 0.69
    benzyl alcohol 2.39
    2-ethylhexanol 0.31
    isooctanol 0.69
    dipropyl ether 0.98
    1,2-dichlorobenzene 1.11
    ethyl lactate 3.54
    propylene carbonate 9.11
    n-methylformamide 33.51
    2-pentanol 0.39
    n-pentane 0.04
    1-propoxy-2-propanol 6.41
    1-methoxy-2-propyl acetate 6.77
    2-(2-methoxypropoxy) propanol 7.17
    mesitylene 0.31
    ε-caprolactone 5.81
    p-cymene 0.27
    epichlorohydrin 18.73
    1,1,1-trichloroethane 1.35
    2-aminoethanol 9.56
    morpholine-4-carbaldehyde 75.94
    sulfolane 57.13
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.56
    n-hexyl acetate 2.47
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 10.26
    sec-butyl acetate 0.78
    tert-butyl acetate 2.07
    decalin 0.03
    glycerin 27.47
    diglyme 23.17
    acrylic acid 14.92
    isopropyl myristate 0.58
    n-butyric acid 3.91
    acetyl acetate 5.24
    di(2-ethylhexyl) phthalate 1.39
    ethyl propionate 1.58
    nitromethane 72.66
    1,2-diethoxyethane 3.35
    benzonitrile 1.57
    trioctyl phosphate 0.9
    1-bromopropane 0.48
    gamma-valerolactone 46.55
    n-decanol 0.58
    triethyl phosphate 1.13
    4-methyl-2-pentanol 0.26
    propionitrile 1.27
    vinylene carbonate 11.51
    1,1,2-trichlorotrifluoroethane 48.01
    DMS 4.65
    cumene 0.19
    2-octanol 0.56
    2-hexanone 1.21
    octyl acetate 1.2
    limonene 0.33
    1,2-dimethoxyethane 14.4
    ethyl orthosilicate 0.97
    tributyl phosphate 0.74
    diacetone alcohol 5.16
    N,N-dimethylaniline 1.81
    acrylonitrile 4.07
    aniline 1.76
    1,3-propanediol 6.07
    bromobenzene 0.79
    dibromomethane 1.79
    1,1,2,2-tetrachloroethane 5.95
    2-methyl-cyclohexyl acetate 1.2
    tetrabutyl urea 1.5
    diisobutyl methanol 0.22
    2-phenylethanol 2.11
    styrene 0.36
    dioctyl adipate 1.62
    dimethyl sulfate 33.27
    ethyl butyrate 1.28
    methyl lactate 15.68
    butyl lactate 3.68
    diethyl carbonate 1.02
    propanediol butyl ether 9.98
    triethyl orthoformate 1.73
    p-tert-butyltoluene 0.31
    methyl 4-tert-butylbenzoate 5.6
    morpholine 15.33
    tert-butylamine 0.25
    n-dodecanol 0.33
    dimethoxymethane 38.71
    ethylene carbonate 6.14
    cyrene 15.96
    2-ethoxyethyl acetate 7.53
    2-ethylhexyl acetate 0.75
    1,2,4-trichlorobenzene 1.99
    4-methylpyridine 3.65
    dibutyl ether 0.52
    2,6-dimethyl-4-heptanol 0.22
    DEF 6.86
    dimethyl isosorbide 14.3
    tetrachloroethylene 4.47
    eugenol 5.77
    triacetin 8.12
    span 80 6.91
    1,4-butanediol 2.58
    1,1-dichloroethane 1.24
    2-methyl-1-pentanol 0.36
    methyl formate 32.87
    2-methyl-1-butanol 0.45
    n-decane 0.06
    butyronitrile 0.7
    3,7-dimethyl-1-octanol 0.48
    1-chlorooctane 0.28
    1-chlorotetradecane 0.08
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.04
    cyclopentanol 1.73
    tetrahydropyran 2.81
    tert-amyl methyl ether 0.78
    2,5,8-trioxanonane 14.45
    1-hexene 0.1
    2-isopropoxyethanol 4.68
    2,2,2-trifluoroethanol 19.05
    methyl butyrate 1.94

    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