Rubusoside

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  • Identifiers

    CAS number
    64849-39-4

    Molecular formula
    C32H50O13

    SMILES
    C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.33%
    Woody 35.92%
    Spicy 28.81%
    Sweet 26.24%
    Cooling 25.16%
    Balsamic 22.36%
    Amber 22.22%
    Mint 20.52%
    Warm 20.42%
    Dry 20.18%

     

    Flavor
    Bitter 66.08%
    Fatty 32.57%
    Odorless 29.74%
    Sweet-like 27.71%
    Sweet 26.23%
    Bland 25.21%
    Cedarleaf 22.35%
    Alkaline 21.0%
    Naphthalic 20.92%
    Cauliflower 20.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    4.77 (weak acid)

    Molecular weight
    642.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1218°C

    Flash point

    • 263.79 ˚C est.

  • Synonyms

    • Rubusoside
    • 64849-39-4
    • TCV5K3M3GX
    • CHEBI:145021
    • Kaur-16-en-18-oic acid, 13-(beta-D-glucopyranosyloxy)-, beta-D-glucopyranosyl ester, (4alpha)-
    • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylidene-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
    • DTXSID10983436
    • ((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (1R,4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylidene-13-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxytetracyclo(11.2.1.01,10.04,9)hexadecane-5-carboxylate
    • RefChem:180284
    • DTXCID501410673
    • MFCD06799426
    • 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose
    • UNII-TCV5K3M3GX
    • Rubusoside?
    • Kaur-16-en-18-oic acid, 13-(ss-D-glucopyranosyloxy)-, ss-D-glucopyranosyl ester, (4a)-; 1H-2,10a-Ethanophenanthrene, kaur-16-en-18-oic acid deriv.; Rubusoside
    • Rubusoside (Standard)
    • CHEMBL499256
    • orb1303360
    • SCHEMBL12857253
    • HY-N0668R
    • YWPVROCHNBYFTP-OSHKXICASA-N
    • HY-N0668
    • MSK40347
    • s9130
    • AKOS040757694
    • CCG-270322
    • CS-5805
    • EBC-102143
    • FR73971
    • BS-42210
    • DA-57570
    • SY111337
    • Q27289906
    • (4alpha)-13-(beta-D-glucopyranosyloxy)kaur-16-en-18-oic acid beta-D-glucopyranosyl ester
    • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1R,4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylene-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
    • 1-o-[(5|A,9|A,10|A,13|A)-13-(|A-d-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-|A-d-glucopyranose
    • 1-O-[13alpha-(beta-D-glucopyranosyloxy)-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl]-beta-D-glucopyranose
    • KAUR-16-EN-18-OIC ACID, 13-(.BETA.-D-GLUCOPYRANOSYLOXY)-, .BETA.-D-GLUCOPYRANOSYL ESTER, (4.ALPHA.)-
    • RubusosideKaur-16-en-18-oic acid, 13-(beta-D-glucopyranosyloxy)-, beta-D-glucopyranosyl ester, (4alpha)-; 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose; UNII-TCV5K3M3GX
    • 64849-39-4

  • Applications

    Rubusoside (CAS 64849-39-4) is a natural glycoside that is considered a non-caloric sweetener, and is thus evaluated for applications in food and beverage formulations, including sweetness enhancement and flavor adjustment in processing; in cosmetics and personal care, it may act as a humectant and stabilizer in formulations, helping to retain moisture and stabilize fragrance components; in fragrance and perfumery, it can be studied as a glycoside precursor or carrier for aroma compounds to support fragrance release and longevity; in pharmaceutical research, it may be used as an excipient or formulation aid, or as a sweetening or carrier component in dosage forms, with use and limits dependent on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.54
    methanol 40.1
    isopropanol 1.7
    water 0.23
    ethyl acetate 3.85
    n-propanol 3.36
    acetone 6.54
    n-butanol 1.84
    acetonitrile 1.88
    DMF 46.24
    toluene 0.76
    isobutanol 1.12
    1,4-dioxane 12.63
    methyl acetate 3.57
    THF 33.8
    2-butanone 4.32
    n-pentanol 1.05
    sec-butanol 1.04
    n-hexane 0.02
    ethylene glycol 9.64
    NMP 61.84
    cyclohexane 0.06
    DMSO 62.08
    n-butyl acetate 1.22
    n-octanol 0.83
    chloroform 5.17
    n-propyl acetate 1.27
    acetic acid 62.94
    dichloromethane 4.71
    cyclohexanone 7.1
    propylene glycol 9.02
    isopropyl acetate 2.1
    DMAc 38.35
    2-ethoxyethanol 13.72
    isopentanol 0.91
    n-heptane 0.04
    ethyl formate 4.8
    1,2-dichloroethane 2.31
    n-hexanol 0.91
    2-methoxyethanol 45.73
    isobutyl acetate 0.58
    tetrachloromethane 0.63
    n-pentyl acetate 2.01
    transcutol 19.08
    n-heptanol 1.17
    ethylbenzene 0.23
    MIBK 1.51
    2-propoxyethanol 13.27
    tert-butanol 1.0
    MTBE 0.7
    2-butoxyethanol 8.62
    propionic acid 6.5
    o-xylene 0.46
    formic acid 70.97
    diethyl ether 1.39
    m-xylene 0.48
    p-xylene 0.23
    chlorobenzene 0.81
    dimethyl carbonate 8.41
    n-octane 0.02
    formamide 48.0
    cyclopentanone 19.17
    2-pentanone 3.57
    anisole 1.29
    cyclopentyl methyl ether 4.13
    gamma-butyrolactone 27.78
    1-methoxy-2-propanol 20.11
    pyridine 7.67
    3-pentanone 2.42
    furfural 26.08
    n-dodecane 0.01
    diethylene glycol 18.63
    diisopropyl ether 0.24
    tert-amyl alcohol 0.8
    acetylacetone 10.27
    n-hexadecane 0.02
    acetophenone 2.12
    methyl propionate 5.31
    isopentyl acetate 0.99
    trichloroethylene 7.5
    n-nonanol 0.87
    cyclohexanol 1.2
    benzyl alcohol 2.45
    2-ethylhexanol 0.37
    isooctanol 0.67
    dipropyl ether 0.8
    1,2-dichlorobenzene 0.83
    ethyl lactate 2.94
    propylene carbonate 9.25
    n-methylformamide 29.1
    2-pentanol 0.68
    n-pentane 0.04
    1-propoxy-2-propanol 5.62
    1-methoxy-2-propyl acetate 5.42
    2-(2-methoxypropoxy) propanol 4.83
    mesitylene 0.24
    ε-caprolactone 8.93
    p-cymene 0.2
    epichlorohydrin 21.64
    1,1,1-trichloroethane 1.21
    2-aminoethanol 12.62
    morpholine-4-carbaldehyde 53.08
    sulfolane 54.21
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 5.4
    n-hexyl acetate 2.02
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 8.17
    sec-butyl acetate 0.73
    tert-butyl acetate 1.93
    decalin 0.03
    glycerin 30.55
    diglyme 16.8
    acrylic acid 13.96
    isopropyl myristate 0.41
    n-butyric acid 8.02
    acetyl acetate 4.65
    di(2-ethylhexyl) phthalate 0.94
    ethyl propionate 1.44
    nitromethane 52.4
    1,2-diethoxyethane 2.34
    benzonitrile 1.32
    trioctyl phosphate 0.67
    1-bromopropane 0.58
    gamma-valerolactone 55.81
    n-decanol 0.46
    triethyl phosphate 0.83
    4-methyl-2-pentanol 0.39
    propionitrile 1.15
    vinylene carbonate 10.39
    1,1,2-trichlorotrifluoroethane 39.01
    DMS 2.78
    cumene 0.15
    2-octanol 0.5
    2-hexanone 1.23
    octyl acetate 0.85
    limonene 0.29
    1,2-dimethoxyethane 11.63
    ethyl orthosilicate 0.72
    tributyl phosphate 0.57
    diacetone alcohol 5.96
    N,N-dimethylaniline 0.98
    acrylonitrile 2.96
    aniline 2.11
    1,3-propanediol 13.61
    bromobenzene 0.61
    dibromomethane 1.88
    1,1,2,2-tetrachloroethane 5.14
    2-methyl-cyclohexyl acetate 1.01
    tetrabutyl urea 1.01
    diisobutyl methanol 0.22
    2-phenylethanol 2.07
    styrene 0.28
    dioctyl adipate 1.01
    dimethyl sulfate 19.05
    ethyl butyrate 1.16
    methyl lactate 14.59
    butyl lactate 3.15
    diethyl carbonate 0.79
    propanediol butyl ether 8.35
    triethyl orthoformate 1.2
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 3.69
    morpholine 17.51
    tert-butylamine 0.26
    n-dodecanol 0.25
    dimethoxymethane 27.09
    ethylene carbonate 6.45
    cyrene 11.06
    2-ethoxyethyl acetate 5.62
    2-ethylhexyl acetate 0.68
    1,2,4-trichlorobenzene 1.39
    4-methylpyridine 3.73
    dibutyl ether 0.38
    2,6-dimethyl-4-heptanol 0.22
    DEF 6.78
    dimethyl isosorbide 9.03
    tetrachloroethylene 4.14
    eugenol 4.2
    triacetin 4.56
    span 80 4.98
    1,4-butanediol 3.49
    1,1-dichloroethane 1.27
    2-methyl-1-pentanol 0.58
    methyl formate 22.97
    2-methyl-1-butanol 0.92
    n-decane 0.04
    butyronitrile 0.94
    3,7-dimethyl-1-octanol 0.45
    1-chlorooctane 0.21
    1-chlorotetradecane 0.06
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 2.9
    tetrahydropyran 3.89
    tert-amyl methyl ether 0.74
    2,5,8-trioxanonane 9.5
    1-hexene 0.1
    2-isopropoxyethanol 4.48
    2,2,2-trifluoroethanol 18.55
    methyl butyrate 2.02

    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