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

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  • Identifiers

    CAS number
    154971-13-8

    Molecular formula
    C52H86O22

    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[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)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 53.52%
    Sweet 40.17%
    Woody 39.09%
    Spicy 26.33%
    Cooling 25.57%
    Mint 24.15%
    Balsamic 23.31%
    Amber 23.13%
    Warm 21.71%
    Dry 21.47%

     

    Flavor
    Bitter 56.39%
    Fatty 33.71%
    Odorless 30.89%
    Sweet 29.88%
    Sweet-like 27.06%
    Bland 22.72%
    Cedarleaf 21.61%
    Metallic 21.25%
    Mentholic 20.6%
    Clary 20.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.5

    pKa est.
    4.68 (weak acid)

    Molecular weight
    1063.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3031°C

    Flash point

    • 219.51 ˚C est.

  • Synonyms

    • DTXSID501099534
    • 154971-13-8
    • Dammar-23-en-16-one, 3-[[2-O-(6-deoxy-I+/--L-mannopyranosyl)-I+/--L-arabinopyranosyl]oxy]-20,25-dihydroxy-30-[(6-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranosyl)oxy]-, (3I(2),23E)-
    • 154971-13-8

  • Applications

    The compound Dammar-23-en-16-one, 3-[[2-O-(6-deoxy-I+/--L-mannopyranosyl)-I+/--L-arabinopyranosyl]oxy]-20,25-dihydroxy-30-[(6-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranosyl)oxy]-, (3I(2),23E)- (CAS 154971-13-8) is a glycosylated dammarane-type triterpene derivative primarily of interest as a resin/fragrance intermediate. In perfumery it may serve as a fragrance component or fixative; in cosmetics and personal care it can be evaluated as a specialty resin additive with aroma-delivery or film-forming potential. In coatings, inks, and adhesives used in industrial manufacturing, it can contribute to film formation and tackiness. It also functions as an intermediate for the synthesis of glycosylated triterpenes in pharmaceutical research and as a potential cosmetic ingredient precursor, with regulatory and formulation considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.2
    methanol 31.73
    isopropanol 0.54
    water 0.3
    ethyl acetate 2.59
    n-propanol 1.21
    acetone 3.91
    n-butanol 0.49
    acetonitrile 2.01
    DMF 67.27
    toluene 0.74
    isobutanol 0.45
    1,4-dioxane 9.13
    methyl acetate 3.51
    THF 13.9
    2-butanone 2.51
    n-pentanol 0.45
    sec-butanol 0.39
    n-hexane 0.02
    ethylene glycol 6.77
    NMP 71.0
    cyclohexane 0.05
    DMSO 54.99
    n-butyl acetate 0.93
    n-octanol 0.62
    chloroform 4.87
    n-propyl acetate 1.14
    acetic acid 39.74
    dichloromethane 5.81
    cyclohexanone 3.6
    propylene glycol 4.69
    isopropyl acetate 1.31
    DMAc 48.41
    2-ethoxyethanol 8.4
    isopentanol 0.28
    n-heptane 0.04
    ethyl formate 2.97
    1,2-dichloroethane 2.24
    n-hexanol 0.41
    2-methoxyethanol 23.36
    isobutyl acetate 0.55
    tetrachloromethane 0.47
    n-pentyl acetate 1.75
    transcutol 16.72
    n-heptanol 0.77
    ethylbenzene 0.26
    MIBK 0.87
    2-propoxyethanol 8.88
    tert-butanol 0.38
    MTBE 0.4
    2-butoxyethanol 6.4
    propionic acid 4.62
    o-xylene 0.51
    formic acid 87.1
    diethyl ether 0.86
    m-xylene 0.51
    p-xylene 0.3
    chlorobenzene 0.88
    dimethyl carbonate 11.29
    n-octane 0.03
    formamide 50.01
    cyclopentanone 9.85
    2-pentanone 1.64
    anisole 1.48
    cyclopentyl methyl ether 2.81
    gamma-butyrolactone 21.05
    1-methoxy-2-propanol 9.79
    pyridine 6.7
    3-pentanone 1.82
    furfural 27.75
    n-dodecane 0.02
    diethylene glycol 15.22
    diisopropyl ether 0.17
    tert-amyl alcohol 0.35
    acetylacetone 7.54
    n-hexadecane 0.02
    acetophenone 2.55
    methyl propionate 5.04
    isopentyl acetate 0.69
    trichloroethylene 8.54
    n-nonanol 0.66
    cyclohexanol 0.49
    benzyl alcohol 1.84
    2-ethylhexanol 0.24
    isooctanol 0.48
    dipropyl ether 0.73
    1,2-dichlorobenzene 1.17
    ethyl lactate 2.81
    propylene carbonate 7.36
    n-methylformamide 28.56
    2-pentanol 0.24
    n-pentane 0.03
    1-propoxy-2-propanol 4.23
    1-methoxy-2-propyl acetate 4.87
    2-(2-methoxypropoxy) propanol 5.02
    mesitylene 0.26
    ε-caprolactone 4.9
    p-cymene 0.24
    epichlorohydrin 15.85
    1,1,1-trichloroethane 1.02
    2-aminoethanol 6.42
    morpholine-4-carbaldehyde 61.25
    sulfolane 50.79
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.43
    n-hexyl acetate 1.76
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.11
    sec-butyl acetate 0.58
    tert-butyl acetate 1.38
    decalin 0.03
    glycerin 20.97
    diglyme 15.84
    acrylic acid 13.17
    isopropyl myristate 0.39
    n-butyric acid 2.99
    acetyl acetate 3.88
    di(2-ethylhexyl) phthalate 1.11
    ethyl propionate 1.3
    nitromethane 62.35
    1,2-diethoxyethane 2.15
    benzonitrile 1.43
    trioctyl phosphate 0.65
    1-bromopropane 0.47
    gamma-valerolactone 37.61
    n-decanol 0.37
    triethyl phosphate 0.95
    4-methyl-2-pentanol 0.17
    propionitrile 1.04
    vinylene carbonate 10.5
    1,1,2-trichlorotrifluoroethane 40.4
    DMS 3.81
    cumene 0.17
    2-octanol 0.33
    2-hexanone 0.87
    octyl acetate 0.84
    limonene 0.29
    1,2-dimethoxyethane 8.43
    ethyl orthosilicate 0.78
    tributyl phosphate 0.55
    diacetone alcohol 3.35
    N,N-dimethylaniline 1.37
    acrylonitrile 3.55
    aniline 1.38
    1,3-propanediol 3.9
    bromobenzene 0.85
    dibromomethane 1.92
    1,1,2,2-tetrachloroethane 4.96
    2-methyl-cyclohexyl acetate 0.96
    tetrabutyl urea 1.07
    diisobutyl methanol 0.15
    2-phenylethanol 1.66
    styrene 0.33
    dioctyl adipate 1.13
    dimethyl sulfate 29.12
    ethyl butyrate 1.01
    methyl lactate 11.9
    butyl lactate 2.76
    diethyl carbonate 0.76
    propanediol butyl ether 6.86
    triethyl orthoformate 1.26
    p-tert-butyltoluene 0.25
    methyl 4-tert-butylbenzoate 4.63
    morpholine 9.88
    tert-butylamine 0.11
    n-dodecanol 0.2
    dimethoxymethane 27.13
    ethylene carbonate 5.27
    cyrene 13.76
    2-ethoxyethyl acetate 5.73
    2-ethylhexyl acetate 0.56
    1,2,4-trichlorobenzene 1.81
    4-methylpyridine 3.09
    dibutyl ether 0.36
    2,6-dimethyl-4-heptanol 0.15
    DEF 5.35
    dimethyl isosorbide 11.89
    tetrachloroethylene 3.83
    eugenol 4.96
    triacetin 6.41
    span 80 4.85
    1,4-butanediol 1.75
    1,1-dichloroethane 0.97
    2-methyl-1-pentanol 0.26
    methyl formate 26.84
    2-methyl-1-butanol 0.33
    n-decane 0.04
    butyronitrile 0.56
    3,7-dimethyl-1-octanol 0.32
    1-chlorooctane 0.22
    1-chlorotetradecane 0.06
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.11
    tetrahydropyran 1.85
    tert-amyl methyl ether 0.51
    2,5,8-trioxanonane 9.73
    1-hexene 0.08
    2-isopropoxyethanol 3.16
    2,2,2-trifluoroethanol 17.14
    methyl butyrate 1.57

    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