Dammar-23-en-16-one, 3-[[2-O-(6-deoxy-I+/--L-mannopyranosyl)-I+/--L-arabinopyranosyl]oxy]-30-(I(2)-D-glucopyranosyloxy)-20,25-dihydroxy-, (3I(2),23E)-

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  • Identifiers

    CAS number
    154971-11-6

    Molecular formula
    C47H78O18

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@@]4([C@H]5CC[C@@H]6[C@H](C(=O)C[C@]6([C@@]5(CC[C@H]4C3(C)C)C)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)[C@](C)(C/C=C/C(C)(C)O)O)C)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 50.53%
    Woody 42.34%
    Sweet 39.01%
    Spicy 27.08%
    Cooling 26.85%
    Mint 26.48%
    Amber 26.2%
    Balsamic 25.99%
    Dry 23.43%
    Sandalwood 22.98%

     

    Flavor
    Bitter 56.07%
    Fatty 31.12%
    Odorless 29.26%
    Sweet 28.41%
    Sweet-like 25.77%
    Cedarleaf 21.79%
    Bland 21.32%
    Clary 20.76%
    Mentholic 20.64%
    Metallic 20.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    4.79 (weak acid)

    Molecular weight
    931.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2149°C

    Flash point

    • 239.66 ˚C est.

  • Synonyms

    • DTXSID201101398
    • 154971-11-6
    • Dammar-23-en-16-one, 3-[[2-O-(6-deoxy-I+/--L-mannopyranosyl)-I+/--L-arabinopyranosyl]oxy]-30-(I(2)-D-glucopyranosyloxy)-20,25-dihydroxy-, (3I(2),23E)-
    • 154971-11-6

  • Applications

    The chemical Dammar-23-en-16-one, 3-[[2-O-(6-deoxy-I+/--L-mannopyranosyl)-I+/--L-arabinopyranosyl]oxy]-30-(I(2)-D-glucopyranosyloxy)-20,25-dihydroxy-, (3I(2),23E)- (CAS 154971-11-6) is a glycosylated dammarane-type triterpenoid that may find practical use as an intermediate for saponin-like glycosides in pharmaceutical or agrochemical syntheses; as a surfactant or emulsifier in cosmetics and personal care; as a stabilizer or processing aid in coatings, inks and polymer formulations; in household cleaning products as a surfactant; and as an adjuvant or surface-active additive in agricultural formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.61
    methanol 38.73
    isopropanol 0.6
    water 0.28
    ethyl acetate 3.01
    n-propanol 1.49
    acetone 4.54
    n-butanol 0.61
    acetonitrile 2.18
    DMF 72.82
    toluene 0.85
    isobutanol 0.55
    1,4-dioxane 10.78
    methyl acetate 3.97
    THF 17.81
    2-butanone 3.0
    n-pentanol 0.54
    sec-butanol 0.46
    n-hexane 0.03
    ethylene glycol 7.63
    NMP 84.66
    cyclohexane 0.06
    DMSO 60.62
    n-butyl acetate 1.07
    n-octanol 0.65
    chloroform 5.89
    n-propyl acetate 1.28
    acetic acid 49.71
    dichloromethane 7.02
    cyclohexanone 4.44
    propylene glycol 5.44
    isopropyl acetate 1.53
    DMAc 51.89
    2-ethoxyethanol 9.7
    isopentanol 0.34
    n-heptane 0.05
    ethyl formate 3.53
    1,2-dichloroethane 2.7
    n-hexanol 0.48
    2-methoxyethanol 28.36
    isobutyl acetate 0.65
    tetrachloromethane 0.57
    n-pentyl acetate 1.9
    transcutol 17.58
    n-heptanol 0.83
    ethylbenzene 0.3
    MIBK 1.03
    2-propoxyethanol 10.57
    tert-butanol 0.42
    MTBE 0.45
    2-butoxyethanol 7.02
    propionic acid 5.56
    o-xylene 0.56
    formic acid 97.13
    diethyl ether 0.98
    m-xylene 0.57
    p-xylene 0.34
    chlorobenzene 1.07
    dimethyl carbonate 11.99
    n-octane 0.03
    formamide 55.22
    cyclopentanone 12.34
    2-pentanone 1.96
    anisole 1.73
    cyclopentyl methyl ether 3.39
    gamma-butyrolactone 25.38
    1-methoxy-2-propanol 11.37
    pyridine 7.85
    3-pentanone 2.11
    furfural 31.89
    n-dodecane 0.02
    diethylene glycol 17.48
    diisopropyl ether 0.19
    tert-amyl alcohol 0.39
    acetylacetone 8.55
    n-hexadecane 0.02
    acetophenone 2.94
    methyl propionate 5.75
    isopentyl acetate 0.81
    trichloroethylene 10.45
    n-nonanol 0.7
    cyclohexanol 0.6
    benzyl alcohol 2.21
    2-ethylhexanol 0.28
    isooctanol 0.52
    dipropyl ether 0.78
    1,2-dichlorobenzene 1.4
    ethyl lactate 3.09
    propylene carbonate 8.93
    n-methylformamide 33.0
    2-pentanol 0.29
    n-pentane 0.03
    1-propoxy-2-propanol 4.69
    1-methoxy-2-propyl acetate 5.5
    2-(2-methoxypropoxy) propanol 5.39
    mesitylene 0.29
    ε-caprolactone 6.08
    p-cymene 0.27
    epichlorohydrin 19.7
    1,1,1-trichloroethane 1.26
    2-aminoethanol 7.75
    morpholine-4-carbaldehyde 71.65
    sulfolane 60.86
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.07
    n-hexyl acetate 1.95
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.62
    sec-butyl acetate 0.67
    tert-butyl acetate 1.59
    decalin 0.03
    glycerin 23.94
    diglyme 16.74
    acrylic acid 15.44
    isopropyl myristate 0.42
    n-butyric acid 3.68
    acetyl acetate 4.55
    di(2-ethylhexyl) phthalate 1.24
    ethyl propionate 1.46
    nitromethane 70.22
    1,2-diethoxyethane 2.25
    benzonitrile 1.63
    trioctyl phosphate 0.71
    1-bromopropane 0.55
    gamma-valerolactone 46.41
    n-decanol 0.38
    triethyl phosphate 1.04
    4-methyl-2-pentanol 0.2
    propionitrile 1.14
    vinylene carbonate 12.42
    1,1,2-trichlorotrifluoroethane 47.16
    DMS 4.15
    cumene 0.19
    2-octanol 0.34
    2-hexanone 1.01
    octyl acetate 0.91
    limonene 0.32
    1,2-dimethoxyethane 9.64
    ethyl orthosilicate 0.86
    tributyl phosphate 0.6
    diacetone alcohol 3.77
    N,N-dimethylaniline 1.53
    acrylonitrile 3.91
    aniline 1.62
    1,3-propanediol 4.83
    bromobenzene 1.03
    dibromomethane 2.32
    1,1,2,2-tetrachloroethane 5.9
    2-methyl-cyclohexyl acetate 1.12
    tetrabutyl urea 1.15
    diisobutyl methanol 0.17
    2-phenylethanol 2.0
    styrene 0.39
    dioctyl adipate 1.24
    dimethyl sulfate 30.79
    ethyl butyrate 1.15
    methyl lactate 13.03
    butyl lactate 3.01
    diethyl carbonate 0.84
    propanediol butyl ether 7.51
    triethyl orthoformate 1.34
    p-tert-butyltoluene 0.27
    methyl 4-tert-butylbenzoate 5.01
    morpholine 12.06
    tert-butylamine 0.12
    n-dodecanol 0.21
    dimethoxymethane 30.3
    ethylene carbonate 6.28
    cyrene 15.62
    2-ethoxyethyl acetate 6.23
    2-ethylhexyl acetate 0.66
    1,2,4-trichlorobenzene 2.18
    4-methylpyridine 3.66
    dibutyl ether 0.37
    2,6-dimethyl-4-heptanol 0.17
    DEF 6.09
    dimethyl isosorbide 12.92
    tetrachloroethylene 4.69
    eugenol 5.43
    triacetin 6.95
    span 80 5.29
    1,4-butanediol 2.03
    1,1-dichloroethane 1.18
    2-methyl-1-pentanol 0.32
    methyl formate 30.06
    2-methyl-1-butanol 0.4
    n-decane 0.04
    butyronitrile 0.64
    3,7-dimethyl-1-octanol 0.35
    1-chlorooctane 0.23
    1-chlorotetradecane 0.06
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.37
    tetrahydropyran 2.29
    tert-amyl methyl ether 0.56
    2,5,8-trioxanonane 10.22
    1-hexene 0.09
    2-isopropoxyethanol 3.53
    2,2,2-trifluoroethanol 19.53
    methyl butyrate 1.82

    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