Dulcoside A

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  • Identifiers

    CAS number
    64432-06-0

    Molecular formula
    C38H60O17

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@]34CC[C@H]5[C@@]6(CCC[C@@]([C@H]6CC[C@]5(C3)CC4=C)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 64.25%
    Woody 30.43%
    Sweet 27.53%
    Spicy 24.82%
    Cooling 23.24%
    Warm 18.33%
    Amber 18.29%
    Balsamic 18.15%
    Mint 18.09%
    Clean 17.81%

     

    Flavor
    Bitter 61.53%
    Fatty 35.31%
    Odorless 32.37%
    Sweet 32.03%
    Sweet-like 28.78%
    Bland 25.27%
    Cedarleaf 21.88%
    Metallic 21.37%
    Alkaline 21.11%
    Cauliflower 21.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    3.97 (weak acid)

    Molecular weight
    788.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    2415°C

    Flash point

    • 242.8 ˚C est.

  • Synonyms

    • Dulcoside A
    • 64432-06-0
    • BV1X94PJ0P
    • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
    • DTXSID40983005
    • ((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (1R,4S,5R,9S,10R,13S)-13-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-5,9-dimethyl-14-methylidenetetracyclo(11.2.1.01,10.04,9)hexadecane-5-carboxylate
    • RefChem:35346
    • DTXCID701775465
    • DULCOSIDEA
    • UNII-BV1X94PJ0P
    • CCRIS 6117
    • (4?)-13-[[2-O-(6-Deoxy-?-L-mannopyranosyl)-?-D-glucopyranosyl]oxy]kaur-16-en-18-oic Dcid ?-D-Glucopyranosyl Ester
    • (-)-DULCOSIDE A
    • DULCOSIDE A, (-)-
    • orb1297389
    • CHEBI:186967
    • HY-N6992
    • MSK40346
    • C38H60O17
    • AKOS040760372
    • OD29299
    • DA-72932
    • MS-31448
    • CS-0086402
    • NS00120605
    • G13163
    • Q27274899
    • (4|A)-13-[[2-O-(6-Deoxy-|A-L-mannopyranosyl)-|A-D-glucopyranosyl]oxy]kaur-16-en-18-oic acid |A-D-glucopyranosyl ester
    • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,9-dimethyl-14-methylene-tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
    • 1-O-(13alpha-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl)-beta-D-glucopyranose
    • KAUR-16-EN-18-OIC ACID, 13-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-, .BETA.-D-GLUCOPYRANOSYL ESTER, (4.ALPHA.)-
    • 64432-06-0

  • Applications

    Dulcoside A (CAS 64432-06-0) is a glycosidic compound that is primarily considered as an intermediate or building block for organic synthesis. In industry, it may be evaluated as a specialty intermediate in pharmaceutical development and in the preparation of complex molecules. It may also find applications in cosmetics and personal care as a carbohydrate-derived excipient or formulation ingredient. In research and analytical settings, it can serve as a reference material or substrate for method development and quantification. Overall, its use is governed by local regulations and formulation limits, and it should be handled with appropriate safety and purity considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.83
    methanol 51.12
    isopropanol 1.91
    water 0.3
    ethyl acetate 5.07
    n-propanol 3.79
    acetone 6.68
    n-butanol 2.07
    acetonitrile 2.41
    DMF 70.62
    toluene 0.86
    isobutanol 1.28
    1,4-dioxane 15.49
    methyl acetate 5.2
    THF 35.51
    2-butanone 5.07
    n-pentanol 1.12
    sec-butanol 1.29
    n-hexane 0.02
    ethylene glycol 13.57
    NMP 92.96
    cyclohexane 0.06
    DMSO 79.41
    n-butyl acetate 1.57
    n-octanol 0.99
    chloroform 7.18
    n-propyl acetate 1.61
    acetic acid 87.37
    dichloromethane 7.06
    cyclohexanone 7.89
    propylene glycol 12.54
    isopropyl acetate 2.62
    DMAc 55.16
    2-ethoxyethanol 16.98
    isopentanol 0.98
    n-heptane 0.04
    ethyl formate 6.76
    1,2-dichloroethane 3.13
    n-hexanol 0.97
    2-methoxyethanol 59.68
    isobutyl acetate 0.71
    tetrachloromethane 0.77
    n-pentyl acetate 2.51
    transcutol 24.55
    n-heptanol 1.32
    ethylbenzene 0.24
    MIBK 1.61
    2-propoxyethanol 16.3
    tert-butanol 1.1
    MTBE 0.85
    2-butoxyethanol 10.62
    propionic acid 9.63
    o-xylene 0.52
    formic acid 113.44
    diethyl ether 1.57
    m-xylene 0.52
    p-xylene 0.24
    chlorobenzene 1.03
    dimethyl carbonate 12.9
    n-octane 0.03
    formamide 72.81
    cyclopentanone 21.83
    2-pentanone 4.01
    anisole 1.59
    cyclopentyl methyl ether 4.59
    gamma-butyrolactone 38.32
    1-methoxy-2-propanol 25.67
    pyridine 9.84
    3-pentanone 2.86
    furfural 38.91
    n-dodecane 0.02
    diethylene glycol 24.17
    diisopropyl ether 0.26
    tert-amyl alcohol 0.94
    acetylacetone 12.84
    n-hexadecane 0.02
    acetophenone 2.69
    methyl propionate 7.48
    isopentyl acetate 1.2
    trichloroethylene 11.27
    n-nonanol 1.03
    cyclohexanol 1.34
    benzyl alcohol 2.94
    2-ethylhexanol 0.41
    isooctanol 0.75
    dipropyl ether 0.93
    1,2-dichlorobenzene 1.13
    ethyl lactate 4.09
    propylene carbonate 14.04
    n-methylformamide 43.43
    2-pentanol 0.78
    n-pentane 0.04
    1-propoxy-2-propanol 7.03
    1-methoxy-2-propyl acetate 7.19
    2-(2-methoxypropoxy) propanol 6.32
    mesitylene 0.26
    ε-caprolactone 11.48
    p-cymene 0.23
    epichlorohydrin 28.84
    1,1,1-trichloroethane 1.58
    2-aminoethanol 16.6
    morpholine-4-carbaldehyde 79.17
    sulfolane 76.62
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 6.28
    n-hexyl acetate 2.56
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 10.26
    sec-butyl acetate 0.9
    tert-butyl acetate 2.39
    decalin 0.03
    glycerin 44.49
    diglyme 22.2
    acrylic acid 21.67
    isopropyl myristate 0.5
    n-butyric acid 10.61
    acetyl acetate 6.76
    di(2-ethylhexyl) phthalate 1.18
    ethyl propionate 1.88
    nitromethane 82.99
    1,2-diethoxyethane 2.92
    benzonitrile 1.69
    trioctyl phosphate 0.82
    1-bromopropane 0.7
    gamma-valerolactone 73.27
    n-decanol 0.54
    triethyl phosphate 1.15
    4-methyl-2-pentanol 0.43
    propionitrile 1.46
    vinylene carbonate 16.05
    1,1,2-trichlorotrifluoroethane 59.9
    DMS 3.98
    cumene 0.15
    2-octanol 0.57
    2-hexanone 1.35
    octyl acetate 1.08
    limonene 0.34
    1,2-dimethoxyethane 14.63
    ethyl orthosilicate 0.97
    tributyl phosphate 0.71
    diacetone alcohol 7.09
    N,N-dimethylaniline 1.19
    acrylonitrile 4.12
    aniline 2.61
    1,3-propanediol 16.82
    bromobenzene 0.81
    dibromomethane 2.44
    1,1,2,2-tetrachloroethane 7.29
    2-methyl-cyclohexyl acetate 1.24
    tetrabutyl urea 1.24
    diisobutyl methanol 0.25
    2-phenylethanol 2.36
    styrene 0.32
    dioctyl adipate 1.27
    dimethyl sulfate 31.5
    ethyl butyrate 1.53
    methyl lactate 21.6
    butyl lactate 4.06
    diethyl carbonate 1.09
    propanediol butyl ether 10.51
    triethyl orthoformate 1.62
    p-tert-butyltoluene 0.23
    methyl 4-tert-butylbenzoate 4.92
    morpholine 21.68
    tert-butylamine 0.27
    n-dodecanol 0.3
    dimethoxymethane 36.3
    ethylene carbonate 9.38
    cyrene 14.46
    2-ethoxyethyl acetate 7.73
    2-ethylhexyl acetate 0.85
    1,2,4-trichlorobenzene 1.97
    4-methylpyridine 4.89
    dibutyl ether 0.45
    2,6-dimethyl-4-heptanol 0.25
    DEF 9.18
    dimethyl isosorbide 11.69
    tetrachloroethylene 5.69
    eugenol 5.28
    triacetin 6.55
    span 80 6.5
    1,4-butanediol 4.08
    1,1-dichloroethane 1.65
    2-methyl-1-pentanol 0.62
    methyl formate 35.38
    2-methyl-1-butanol 1.07
    n-decane 0.04
    butyronitrile 1.12
    3,7-dimethyl-1-octanol 0.51
    1-chlorooctane 0.25
    1-chlorotetradecane 0.07
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 3.26
    tetrahydropyran 4.37
    tert-amyl methyl ether 0.94
    2,5,8-trioxanonane 12.43
    1-hexene 0.09
    2-isopropoxyethanol 5.43
    2,2,2-trifluoroethanol 29.48
    methyl butyrate 2.65

    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