15,16-Secodammar-24-en-16-oic acid, 3-[[6-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]oxy]-15,20-epoxy-15-(I(2)-D-glucopyranosyloxy)-22-hydroxy-, I(3)-lactone, (3I(2),15R,22R)-

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  • Identifiers

    CAS number
    143672-61-1

    Molecular formula
    C48H78O19

    SMILES
    CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3CCC4(C5CCC6C7C(=O)OC(C7(OC(C6(C5(CCC4C3(C)C)C)C)OC8C(C(C(C(O8)CO)O)O)O)C)CC=C(C)C)C)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.99%
    Woody 35.59%
    Sweet 31.91%
    Spicy 31.07%
    Cooling 24.82%
    Mint 24.07%
    Warm 20.24%
    Dry 19.68%
    Amber 19.17%
    Balsamic 18.63%

     

    Flavor
    Bitter 55.6%
    Fatty 32.88%
    Sweet 28.36%
    Sweet-like 26.36%
    Odorless 26.3%
    Metallic 22.5%
    Cedarleaf 22.25%
    Bland 21.96%
    Mentholic 20.89%
    Patchouli 20.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    4.15 (weak acid)

    Molecular weight
    959.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2099°C

    Flash point

    • 190.05 ˚C est.

  • Synonyms

    • DTXSID201099028
    • 143672-61-1
    • 15,16-Secodammar-24-en-16-oic acid, 3-[[6-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]oxy]-15,20-epoxy-15-(I(2)-D-glucopyranosyloxy)-22-hydroxy-, I(3)-lactone, (3I(2),15R,22R)-
    • 143672-61-1

  • Applications

    The compound 15,16-Secodammar-24-en-16-oic acid, 3-[[6-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]oxy]-15,20-epoxy-15-(I(2)-D-glucopyranosyloxy)-22-hydroxy-, I(3)-lactone, (3I(2),15R,22R)- (CAS 143672-61-1) is of interest as a glycosylated dammarane saponin-type scaffold for pharmaceutical research and development; it also has potential utility in cosmetics and personal care as a natural surfactant/emulsifier component; in household cleaning products where glycoside saponins can aid foaming and stabilization; as an intermediate or starting material for chemical modification in industrial manufacturing; and as a reference material for natural product chemistry and coatings or inks formulations where glycosylated triterpenoids can act as stabilizers or compatibility agents.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.08
    methanol 85.33
    isopropanol 4.66
    water 0.27
    ethyl acetate 17.36
    n-propanol 8.97
    acetone 27.1
    n-butanol 4.02
    acetonitrile 8.92
    DMF 183.87
    toluene 4.01
    isobutanol 3.54
    1,4-dioxane 53.01
    methyl acetate 19.54
    THF 112.92
    2-butanone 17.97
    n-pentanol 3.22
    sec-butanol 3.03
    n-hexane 0.11
    ethylene glycol 19.31
    NMP 227.1
    cyclohexane 0.28
    DMSO 202.81
    n-butyl acetate 6.56
    n-octanol 3.43
    chloroform 32.13
    n-propyl acetate 6.62
    acetic acid 186.93
    dichloromethane 30.67
    cyclohexanone 27.97
    propylene glycol 17.2
    isopropyl acetate 9.62
    DMAc 158.96
    2-ethoxyethanol 41.88
    isopentanol 2.45
    n-heptane 0.19
    ethyl formate 19.17
    1,2-dichloroethane 14.44
    n-hexanol 3.11
    2-methoxyethanol 104.77
    isobutyl acetate 3.56
    tetrachloromethane 3.34
    n-pentyl acetate 9.65
    transcutol 61.95
    n-heptanol 4.16
    ethylbenzene 1.21
    MIBK 6.32
    2-propoxyethanol 45.61
    tert-butanol 3.67
    MTBE 3.49
    2-butoxyethanol 28.42
    propionic acid 26.08
    o-xylene 2.36
    formic acid 157.78
    diethyl ether 5.77
    m-xylene 2.31
    p-xylene 1.52
    chlorobenzene 5.8
    dimethyl carbonate 41.05
    n-octane 0.11
    formamide 113.59
    cyclopentanone 72.04
    2-pentanone 12.87
    anisole 6.61
    cyclopentyl methyl ether 17.11
    gamma-butyrolactone 119.29
    1-methoxy-2-propanol 52.64
    pyridine 32.66
    3-pentanone 11.0
    furfural 102.05
    n-dodecane 0.08
    diethylene glycol 53.18
    diisopropyl ether 1.12
    tert-amyl alcohol 2.77
    acetylacetone 44.14
    n-hexadecane 0.1
    acetophenone 11.56
    methyl propionate 24.99
    isopentyl acetate 5.22
    trichloroethylene 47.73
    n-nonanol 3.56
    cyclohexanol 3.76
    benzyl alcohol 9.56
    2-ethylhexanol 1.51
    isooctanol 2.6
    dipropyl ether 3.5
    1,2-dichlorobenzene 6.1
    ethyl lactate 11.2
    propylene carbonate 42.94
    n-methylformamide 96.08
    2-pentanol 1.83
    n-pentane 0.15
    1-propoxy-2-propanol 19.65
    1-methoxy-2-propyl acetate 23.65
    2-(2-methoxypropoxy) propanol 18.87
    mesitylene 1.15
    ε-caprolactone 35.14
    p-cymene 1.1
    epichlorohydrin 93.39
    1,1,1-trichloroethane 8.52
    2-aminoethanol 26.12
    morpholine-4-carbaldehyde 204.09
    sulfolane 209.98
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 21.88
    n-hexyl acetate 10.41
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 27.86
    sec-butyl acetate 3.77
    tert-butyl acetate 8.87
    decalin 0.14
    glycerin 56.92
    diglyme 60.34
    acrylic acid 53.84
    isopropyl myristate 2.25
    n-butyric acid 24.63
    acetyl acetate 24.98
    di(2-ethylhexyl) phthalate 5.16
    ethyl propionate 7.07
    nitromethane 215.99
    1,2-diethoxyethane 10.9
    benzonitrile 6.95
    trioctyl phosphate 3.3
    1-bromopropane 3.13
    gamma-valerolactone 200.6
    n-decanol 1.97
    triethyl phosphate 4.55
    4-methyl-2-pentanol 1.27
    propionitrile 5.42
    vinylene carbonate 50.13
    1,1,2-trichlorotrifluoroethane 136.91
    DMS 16.55
    cumene 0.78
    2-octanol 1.95
    2-hexanone 5.74
    octyl acetate 4.6
    limonene 1.57
    1,2-dimethoxyethane 41.81
    ethyl orthosilicate 3.75
    tributyl phosphate 2.9
    diacetone alcohol 19.34
    N,N-dimethylaniline 5.16
    acrylonitrile 14.81
    aniline 7.26
    1,3-propanediol 25.66
    bromobenzene 5.13
    dibromomethane 12.11
    1,1,2,2-tetrachloroethane 29.82
    2-methyl-cyclohexyl acetate 5.6
    tetrabutyl urea 5.08
    diisobutyl methanol 0.93
    2-phenylethanol 9.26
    styrene 1.59
    dioctyl adipate 5.74
    dimethyl sulfate 87.92
    ethyl butyrate 5.68
    methyl lactate 43.62
    butyl lactate 12.67
    diethyl carbonate 4.12
    propanediol butyl ether 26.56
    triethyl orthoformate 5.79
    p-tert-butyltoluene 1.14
    methyl 4-tert-butylbenzoate 17.53
    morpholine 57.88
    tert-butylamine 0.99
    n-dodecanol 1.11
    dimethoxymethane 106.5
    ethylene carbonate 30.82
    cyrene 41.01
    2-ethoxyethyl acetate 27.16
    2-ethylhexyl acetate 3.92
    1,2,4-trichlorobenzene 10.02
    4-methylpyridine 16.99
    dibutyl ether 1.95
    2,6-dimethyl-4-heptanol 0.93
    DEF 27.24
    dimethyl isosorbide 39.16
    tetrachloroethylene 22.24
    eugenol 17.05
    triacetin 25.11
    span 80 18.5
    1,4-butanediol 9.16
    1,1-dichloroethane 8.21
    2-methyl-1-pentanol 1.99
    methyl formate 88.1
    2-methyl-1-butanol 2.51
    n-decane 0.19
    butyronitrile 3.62
    3,7-dimethyl-1-octanol 1.98
    1-chlorooctane 1.14
    1-chlorotetradecane 0.32
    n-nonane 0.15
    undecane 0.12
    tert-butylcyclohexane 0.1
    cyclooctane 0.15
    cyclopentanol 9.22
    tetrahydropyran 15.81
    tert-amyl methyl ether 3.23
    2,5,8-trioxanonane 34.41
    1-hexene 0.42
    2-isopropoxyethanol 16.75
    2,2,2-trifluoroethanol 69.33
    methyl butyrate 9.21

    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