Acutoside D

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  • Identifiers

    CAS number
    135575-16-5

    Molecular formula
    C63H102O29

    SMILES
    CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.66%
    Woody 37.17%
    Sweet 33.76%
    Spicy 26.76%
    Cooling 23.43%
    Balsamic 21.62%
    Amber 21.05%
    Dry 20.89%
    Warm 20.23%
    Mint 19.23%

     

    Flavor
    Bitter 53.56%
    Sweet 38.6%
    Fatty 33.55%
    Odorless 32.85%
    Sweet-like 28.67%
    Bland 24.55%
    Cedarleaf 21.13%
    Metallic 20.94%
    Cauliflower 20.68%
    Patchouli 20.59%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -1.6

    pKa est.
    3.09 (weak acid)

    Molecular weight
    1323.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3611°C

    Melting point expt.

    • 260 - 265 °C

    Flash point

    • 158.39 ˚C est.

  • Synonyms

    • Acutoside D
    • SCHEMBL29934720
    • DTXSID601098408
    • 135575-16-5
    • Olean-12-en-28-oic acid, 3-[(2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-, O-I(2)-D-xylopyranosyl-(1a3)-O-I(2)-D-xylopyranosyl-(1a4)-O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-I+/--L-arabinopyranosyl ester, (3I(2))-
    • 135575-16-5

  • Applications

    Acutoside D (CAS 135575-16-5) is typically considered a chemical intermediate in organic synthesis and may serve as a specialty component in various formulations, with potential applications in fragrance and perfumery, cosmetics and personal care, household and cleaning products, coatings and inks, polymers and plastics, and pharmaceutical research as a scaffold or synthetic intermediate; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.72
    methanol 23.13
    isopropanol 0.58
    water 0.14
    ethyl acetate 1.99
    n-propanol 1.01
    acetone 3.68
    n-butanol 0.42
    acetonitrile 1.72
    DMF 58.63
    toluene 0.63
    isobutanol 0.39
    1,4-dioxane 8.99
    methyl acetate 2.91
    THF 14.34
    2-butanone 2.21
    n-pentanol 0.4
    sec-butanol 0.37
    n-hexane 0.02
    ethylene glycol 5.49
    NMP 53.61
    cyclohexane 0.05
    DMSO 46.19
    n-butyl acetate 0.85
    n-octanol 0.63
    chloroform 3.7
    n-propyl acetate 1.0
    acetic acid 28.07
    dichloromethane 3.65
    cyclohexanone 3.06
    propylene glycol 4.46
    isopropyl acetate 1.13
    DMAc 43.8
    2-ethoxyethanol 7.66
    isopentanol 0.25
    n-heptane 0.04
    ethyl formate 2.3
    1,2-dichloroethane 1.57
    n-hexanol 0.36
    2-methoxyethanol 18.75
    isobutyl acetate 0.52
    tetrachloromethane 0.39
    n-pentyl acetate 1.69
    transcutol 16.99
    n-heptanol 0.72
    ethylbenzene 0.22
    MIBK 0.75
    2-propoxyethanol 8.0
    tert-butanol 0.47
    MTBE 0.45
    2-butoxyethanol 5.81
    propionic acid 3.42
    o-xylene 0.46
    formic acid 47.57
    diethyl ether 0.72
    m-xylene 0.44
    p-xylene 0.29
    chlorobenzene 0.67
    dimethyl carbonate 8.85
    n-octane 0.03
    formamide 31.65
    cyclopentanone 8.52
    2-pentanone 1.4
    anisole 1.37
    cyclopentyl methyl ether 2.31
    gamma-butyrolactone 16.52
    1-methoxy-2-propanol 9.07
    pyridine 5.58
    3-pentanone 1.52
    furfural 21.39
    n-dodecane 0.02
    diethylene glycol 13.07
    diisopropyl ether 0.15
    tert-amyl alcohol 0.37
    acetylacetone 6.73
    n-hexadecane 0.02
    acetophenone 2.31
    methyl propionate 3.85
    isopentyl acetate 0.67
    trichloroethylene 6.25
    n-nonanol 0.67
    cyclohexanol 0.43
    benzyl alcohol 1.67
    2-ethylhexanol 0.2
    isooctanol 0.46
    dipropyl ether 0.67
    1,2-dichlorobenzene 0.84
    ethyl lactate 2.53
    propylene carbonate 5.73
    n-methylformamide 21.68
    2-pentanol 0.22
    n-pentane 0.03
    1-propoxy-2-propanol 4.21
    1-methoxy-2-propyl acetate 4.62
    2-(2-methoxypropoxy) propanol 5.2
    mesitylene 0.24
    ε-caprolactone 3.87
    p-cymene 0.21
    epichlorohydrin 12.25
    1,1,1-trichloroethane 0.87
    2-aminoethanol 5.3
    morpholine-4-carbaldehyde 52.06
    sulfolane 40.58
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.13
    n-hexyl acetate 1.65
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.05
    sec-butyl acetate 0.52
    tert-butyl acetate 1.32
    decalin 0.02
    glycerin 16.88
    diglyme 15.99
    acrylic acid 9.74
    isopropyl myristate 0.4
    n-butyric acid 2.28
    acetyl acetate 3.33
    di(2-ethylhexyl) phthalate 1.03
    ethyl propionate 1.06
    nitromethane 47.63
    1,2-diethoxyethane 2.27
    benzonitrile 1.19
    trioctyl phosphate 0.63
    1-bromopropane 0.32
    gamma-valerolactone 31.6
    n-decanol 0.37
    triethyl phosphate 0.82
    4-methyl-2-pentanol 0.15
    propionitrile 0.86
    vinylene carbonate 7.89
    1,1,2-trichlorotrifluoroethane 34.56
    DMS 3.25
    cumene 0.15
    2-octanol 0.35
    2-hexanone 0.86
    octyl acetate 0.82
    limonene 0.24
    1,2-dimethoxyethane 9.17
    ethyl orthosilicate 0.71
    tributyl phosphate 0.52
    diacetone alcohol 3.3
    N,N-dimethylaniline 1.32
    acrylonitrile 2.9
    aniline 1.2
    1,3-propanediol 3.23
    bromobenzene 0.6
    dibromomethane 1.23
    1,1,2,2-tetrachloroethane 4.07
    2-methyl-cyclohexyl acetate 0.89
    tetrabutyl urea 1.1
    diisobutyl methanol 0.15
    2-phenylethanol 1.48
    styrene 0.28
    dioctyl adipate 1.17
    dimethyl sulfate 22.51
    ethyl butyrate 0.89
    methyl lactate 10.11
    butyl lactate 2.6
    diethyl carbonate 0.71
    propanediol butyl ether 6.86
    triethyl orthoformate 1.26
    p-tert-butyltoluene 0.23
    methyl 4-tert-butylbenzoate 4.11
    morpholine 9.21
    tert-butylamine 0.14
    n-dodecanol 0.21
    dimethoxymethane 23.89
    ethylene carbonate 4.01
    cyrene 12.43
    2-ethoxyethyl acetate 5.21
    2-ethylhexyl acetate 0.51
    1,2,4-trichlorobenzene 1.48
    4-methylpyridine 2.61
    dibutyl ether 0.36
    2,6-dimethyl-4-heptanol 0.15
    DEF 4.38
    dimethyl isosorbide 11.09
    tetrachloroethylene 3.09
    eugenol 4.44
    triacetin 5.86
    span 80 4.92
    1,4-butanediol 1.63
    1,1-dichloroethane 0.77
    2-methyl-1-pentanol 0.23
    methyl formate 21.73
    2-methyl-1-butanol 0.27
    n-decane 0.04
    butyronitrile 0.44
    3,7-dimethyl-1-octanol 0.32
    1-chlorooctane 0.2
    1-chlorotetradecane 0.06
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.02
    tetrahydropyran 1.64
    tert-amyl methyl ether 0.47
    2,5,8-trioxanonane 10.33
    1-hexene 0.07
    2-isopropoxyethanol 3.08
    2,2,2-trifluoroethanol 11.79
    methyl butyrate 1.3

    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