Acutoside B

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  • Identifiers

    CAS number
    135545-77-6

    Molecular formula
    C58H94O25

    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)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 56.22%
    Woody 39.32%
    Sweet 32.77%
    Spicy 28.23%
    Cooling 23.67%
    Amber 22.94%
    Balsamic 22.82%
    Dry 22.18%
    Warm 20.76%
    Mint 20.08%

     

    Flavor
    Bitter 53.98%
    Sweet 36.94%
    Fatty 32.54%
    Odorless 31.76%
    Sweet-like 28.18%
    Bland 24.31%
    Cedarleaf 21.46%
    Metallic 21.0%
    Patchouli 20.89%
    Old paper 20.7%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    4.11 (weak acid)

    Molecular weight
    1191.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3236°C

    Melting point expt.

    • 225 - 250 °C

    Flash point

    • 197.97 ˚C est.

  • Synonyms

    • Acutoside B
    • SCHEMBL29934479
    • CHEBI:180812
    • DTXSID301099083
    • [3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[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-carboxylate
    • 135545-77-6
    • Olean-12-en-28-oic acid, 3-[(2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-, O-I(2)-D-xylopyranosyl-(1a4)-O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-I+/--L-arabinopyranosyl ester, (3I(2))-
    • 135545-77-6

  • Applications

    Acutoside B (CAS 135545-77-6) may be used as an intermediate in organic synthesis and as a solvent or co-solvent in chemical processes. It is sometimes evaluated as a stabilizer and/or chelating agent in formulations and can serve as an odorant or fixative component in perfumery/fragrance applications. The compound may also be explored as a building block for specialty polymers or as a processing aid in coatings, inks, or related industrial formulations, subject to applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.18
    methanol 28.12
    isopropanol 0.77
    water 0.13
    ethyl acetate 2.61
    n-propanol 1.32
    acetone 4.47
    n-butanol 0.54
    acetonitrile 2.02
    DMF 67.96
    toluene 0.73
    isobutanol 0.51
    1,4-dioxane 10.92
    methyl acetate 3.68
    THF 19.04
    2-butanone 2.78
    n-pentanol 0.5
    sec-butanol 0.49
    n-hexane 0.02
    ethylene glycol 6.41
    NMP 64.11
    cyclohexane 0.06
    DMSO 53.8
    n-butyl acetate 1.09
    n-octanol 0.76
    chloroform 5.16
    n-propyl acetate 1.23
    acetic acid 36.98
    dichloromethane 4.85
    cyclohexanone 3.8
    propylene glycol 5.56
    isopropyl acetate 1.48
    DMAc 51.4
    2-ethoxyethanol 9.49
    isopentanol 0.32
    n-heptane 0.05
    ethyl formate 2.89
    1,2-dichloroethane 2.07
    n-hexanol 0.46
    2-methoxyethanol 23.42
    isobutyl acetate 0.64
    tetrachloromethane 0.53
    n-pentyl acetate 2.05
    transcutol 20.76
    n-heptanol 0.87
    ethylbenzene 0.26
    MIBK 0.95
    2-propoxyethanol 10.01
    tert-butanol 0.62
    MTBE 0.57
    2-butoxyethanol 7.02
    propionic acid 4.43
    o-xylene 0.54
    formic acid 54.62
    diethyl ether 0.92
    m-xylene 0.52
    p-xylene 0.34
    chlorobenzene 0.86
    dimethyl carbonate 10.66
    n-octane 0.03
    formamide 36.63
    cyclopentanone 11.06
    2-pentanone 1.74
    anisole 1.64
    cyclopentyl methyl ether 2.92
    gamma-butyrolactone 21.42
    1-methoxy-2-propanol 11.8
    pyridine 6.76
    3-pentanone 1.87
    furfural 25.32
    n-dodecane 0.02
    diethylene glycol 16.01
    diisopropyl ether 0.19
    tert-amyl alcohol 0.49
    acetylacetone 8.3
    n-hexadecane 0.02
    acetophenone 2.71
    methyl propionate 4.85
    isopentyl acetate 0.87
    trichloroethylene 8.38
    n-nonanol 0.81
    cyclohexanol 0.54
    benzyl alcohol 2.08
    2-ethylhexanol 0.25
    isooctanol 0.57
    dipropyl ether 0.79
    1,2-dichlorobenzene 1.06
    ethyl lactate 3.01
    propylene carbonate 7.65
    n-methylformamide 25.69
    2-pentanol 0.29
    n-pentane 0.03
    1-propoxy-2-propanol 5.18
    1-methoxy-2-propyl acetate 5.82
    2-(2-methoxypropoxy) propanol 6.27
    mesitylene 0.28
    ε-caprolactone 4.98
    p-cymene 0.25
    epichlorohydrin 16.1
    1,1,1-trichloroethane 1.21
    2-aminoethanol 6.7
    morpholine-4-carbaldehyde 62.22
    sulfolane 49.01
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.8
    n-hexyl acetate 2.07
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 8.55
    sec-butyl acetate 0.67
    tert-butyl acetate 1.71
    decalin 0.03
    glycerin 20.29
    diglyme 19.37
    acrylic acid 12.23
    isopropyl myristate 0.48
    n-butyric acid 3.1
    acetyl acetate 4.28
    di(2-ethylhexyl) phthalate 1.26
    ethyl propionate 1.32
    nitromethane 58.36
    1,2-diethoxyethane 2.7
    benzonitrile 1.43
    trioctyl phosphate 0.77
    1-bromopropane 0.41
    gamma-valerolactone 38.72
    n-decanol 0.45
    triethyl phosphate 1.02
    4-methyl-2-pentanol 0.2
    propionitrile 1.04
    vinylene carbonate 9.97
    1,1,2-trichlorotrifluoroethane 43.09
    DMS 4.02
    cumene 0.17
    2-octanol 0.42
    2-hexanone 1.04
    octyl acetate 1.0
    limonene 0.29
    1,2-dimethoxyethane 11.05
    ethyl orthosilicate 0.86
    tributyl phosphate 0.65
    diacetone alcohol 4.18
    N,N-dimethylaniline 1.53
    acrylonitrile 3.41
    aniline 1.47
    1,3-propanediol 4.14
    bromobenzene 0.76
    dibromomethane 1.62
    1,1,2,2-tetrachloroethane 5.4
    2-methyl-cyclohexyl acetate 1.12
    tetrabutyl urea 1.28
    diisobutyl methanol 0.19
    2-phenylethanol 1.86
    styrene 0.32
    dioctyl adipate 1.41
    dimethyl sulfate 26.31
    ethyl butyrate 1.1
    methyl lactate 12.34
    butyl lactate 3.21
    diethyl carbonate 0.87
    propanediol butyl ether 8.34
    triethyl orthoformate 1.51
    p-tert-butyltoluene 0.28
    methyl 4-tert-butylbenzoate 4.99
    morpholine 11.55
    tert-butylamine 0.18
    n-dodecanol 0.26
    dimethoxymethane 29.22
    ethylene carbonate 5.22
    cyrene 14.41
    2-ethoxyethyl acetate 6.36
    2-ethylhexyl acetate 0.66
    1,2,4-trichlorobenzene 1.91
    4-methylpyridine 3.19
    dibutyl ether 0.42
    2,6-dimethyl-4-heptanol 0.19
    DEF 5.35
    dimethyl isosorbide 13.13
    tetrachloroethylene 4.08
    eugenol 5.2
    triacetin 7.17
    span 80 5.94
    1,4-butanediol 1.94
    1,1-dichloroethane 1.06
    2-methyl-1-pentanol 0.3
    methyl formate 25.3
    2-methyl-1-butanol 0.35
    n-decane 0.05
    butyronitrile 0.55
    3,7-dimethyl-1-octanol 0.4
    1-chlorooctane 0.23
    1-chlorotetradecane 0.07
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.33
    tetrahydropyran 2.15
    tert-amyl methyl ether 0.6
    2,5,8-trioxanonane 12.09
    1-hexene 0.08
    2-isopropoxyethanol 3.73
    2,2,2-trifluoroethanol 14.94
    methyl butyrate 1.61

    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