Jujuboside A

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  • Identifiers

    CAS number
    55466-04-1

    Molecular formula
    C58H94O26

    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]7[C@@](C[C@@H](O[C@@]78C[C@]6([C@@]5(CC[C@H]4C3(C)C)C)CO8)C=C(C)C)(C)O)C)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 56.57%
    Sweet 39.41%
    Woody 32.38%
    Spicy 26.21%
    Cooling 23.72%
    Mint 21.65%
    Vanilla 20.44%
    Warm 19.81%
    Balsamic 19.32%
    Amber 18.73%

     

    Flavor
    Bitter 48.95%
    Fatty 39.74%
    Sweet 36.8%
    Odorless 30.75%
    Sweet-like 28.0%
    Metallic 23.16%
    Bland 22.4%
    Cedarleaf 21.15%
    Cauliflower 21.04%
    Mentholic 20.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.6

    pKa est.
    1.0 (strong acid)

    Molecular weight
    1207.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3323°C

    Flash point

    • 115.23 ˚C est.

  • Synonyms

    • Jujuboside A
    • 55466-04-1
    • PN3SW9GZ6X
    • DTXSID601317892
    • RefChem:150601
    • DTXCID901747688
    • MFCD03427709
    • SCHEMBL29350391
    • EX-A8003C
    • CHEBI:177582
    • GLXC-13395
    • Jujuboside A, >=97% (HPLC)
    • HY-N0659
    • MSK40030
    • AKOS025311230
    • CCG-270655
    • CS-7861
    • EBC-618434
    • OJ09904
    • alpha-L-Arabinopyranoside, (3beta,16beta,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[O-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-glucopyranosyl-(1-->3)]-
    • S9213
    • C17831
    • 466J041
    • (23R)-20-Hydroxy-16beta,17alpha-16,23:16,30-diepoxydammar-24-en-3beta-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranoside
    • (3?,16?,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-?-L-mannopyranosyl-(1?2)-O0[O-?-D-glucopyranosyl-(1?6)-O-[?-D -xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside
    • (3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[O-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-glucopyranosyl-(1-->3)]-alpha-L-arabinopyranoside
    • |A-L-Arabinopyranoside, (3|A,16|A,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-|A-L-mannopyranosyl-(1 inverted exclamation marku2)-O-[O-|A-D-glucopyranosyl-(1 inverted exclamation marku6)-O-[|A-D-xylopyranosyl-(1 inverted exclamation marku2)]-|A-D-glucopyranosyl-(1 inverted exclamation marku3)]-
    • 55466-04-1

  • Applications

    Jujuboside A, a natural triterpenoid saponin, is primarily evaluated for its surface-active properties; in practice it can function as a natural surfactant and foaming agent or emulsifier in cosmetics and personal care formulations, as well as in household cleaning products. It is also explored as a stabilizing or wetting additive in coatings and inks, and as a processing aid or compatibilizer in polymer and plastics formulations. In industrial manufacturing contexts, it may serve as an intermediate for saponin-derived specialty chemicals or as a formulation additive where mild foaming and emulsification are desirable.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.11
    methanol 17.29
    isopropanol 0.24
    water 0.22
    ethyl acetate 1.26
    n-propanol 0.62
    acetone 2.64
    n-butanol 0.24
    acetonitrile 1.47
    DMF 42.79
    toluene 0.35
    isobutanol 0.23
    1,4-dioxane 5.45
    methyl acetate 1.9
    THF 7.03
    2-butanone 1.51
    n-pentanol 0.28
    sec-butanol 0.17
    n-hexane 0.01
    ethylene glycol 3.88
    NMP 46.94
    cyclohexane 0.02
    DMSO 40.17
    n-butyl acetate 0.75
    n-octanol 0.47
    chloroform 2.76
    n-propyl acetate 0.85
    acetic acid 24.24
    dichloromethane 3.51
    cyclohexanone 2.27
    propylene glycol 2.21
    isopropyl acetate 0.71
    DMAc 29.87
    2-ethoxyethanol 6.19
    isopentanol 0.15
    n-heptane 0.02
    ethyl formate 2.04
    1,2-dichloroethane 1.24
    n-hexanol 0.26
    2-methoxyethanol 12.7
    isobutyl acetate 0.46
    tetrachloromethane 0.25
    n-pentyl acetate 1.48
    transcutol 12.79
    n-heptanol 0.58
    ethylbenzene 0.16
    MIBK 0.58
    2-propoxyethanol 6.42
    tert-butanol 0.17
    MTBE 0.19
    2-butoxyethanol 5.67
    propionic acid 2.54
    o-xylene 0.25
    formic acid 64.21
    diethyl ether 0.39
    m-xylene 0.25
    p-xylene 0.2
    chlorobenzene 0.56
    dimethyl carbonate 5.96
    n-octane 0.01
    formamide 36.96
    cyclopentanone 6.11
    2-pentanone 0.98
    anisole 0.96
    cyclopentyl methyl ether 1.26
    gamma-butyrolactone 12.62
    1-methoxy-2-propanol 5.07
    pyridine 4.18
    3-pentanone 0.98
    furfural 22.93
    n-dodecane 0.01
    diethylene glycol 10.65
    diisopropyl ether 0.08
    tert-amyl alcohol 0.17
    acetylacetone 4.97
    n-hexadecane 0.01
    acetophenone 1.97
    methyl propionate 2.57
    isopentyl acetate 0.56
    trichloroethylene 5.21
    n-nonanol 0.48
    cyclohexanol 0.22
    benzyl alcohol 1.27
    2-ethylhexanol 0.18
    isooctanol 0.36
    dipropyl ether 0.48
    1,2-dichlorobenzene 0.74
    ethyl lactate 2.02
    propylene carbonate 4.6
    n-methylformamide 18.6
    2-pentanol 0.11
    n-pentane 0.01
    1-propoxy-2-propanol 3.14
    1-methoxy-2-propyl acetate 3.37
    2-(2-methoxypropoxy) propanol 4.49
    mesitylene 0.13
    ε-caprolactone 3.04
    p-cymene 0.18
    epichlorohydrin 9.71
    1,1,1-trichloroethane 0.56
    2-aminoethanol 3.73
    morpholine-4-carbaldehyde 42.92
    sulfolane 33.63
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.2
    n-hexyl acetate 1.37
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 6.28
    sec-butyl acetate 0.4
    tert-butyl acetate 0.77
    decalin 0.01
    glycerin 11.7
    diglyme 13.51
    acrylic acid 7.98
    isopropyl myristate 0.3
    n-butyric acid 1.52
    acetyl acetate 2.33
    di(2-ethylhexyl) phthalate 1.03
    ethyl propionate 0.83
    nitromethane 48.26
    1,2-diethoxyethane 1.59
    benzonitrile 1.22
    trioctyl phosphate 0.57
    1-bromopropane 0.23
    gamma-valerolactone 28.06
    n-decanol 0.27
    triethyl phosphate 0.73
    4-methyl-2-pentanol 0.08
    propionitrile 0.64
    vinylene carbonate 7.54
    1,1,2-trichlorotrifluoroethane 29.24
    DMS 2.43
    cumene 0.11
    2-octanol 0.24
    2-hexanone 0.66
    octyl acetate 0.65
    limonene 0.19
    1,2-dimethoxyethane 6.23
    ethyl orthosilicate 0.59
    tributyl phosphate 0.47
    diacetone alcohol 2.07
    N,N-dimethylaniline 0.84
    acrylonitrile 2.31
    aniline 0.7
    1,3-propanediol 2.03
    bromobenzene 0.53
    dibromomethane 1.09
    1,1,2,2-tetrachloroethane 2.74
    2-methyl-cyclohexyl acetate 0.82
    tetrabutyl urea 0.97
    diisobutyl methanol 0.1
    2-phenylethanol 1.28
    styrene 0.2
    dioctyl adipate 0.97
    dimethyl sulfate 17.01
    ethyl butyrate 0.78
    methyl lactate 6.89
    butyl lactate 2.45
    diethyl carbonate 0.59
    propanediol butyl ether 6.02
    triethyl orthoformate 0.95
    p-tert-butyltoluene 0.16
    methyl 4-tert-butylbenzoate 3.6
    morpholine 5.22
    tert-butylamine 0.05
    n-dodecanol 0.16
    dimethoxymethane 14.68
    ethylene carbonate 3.42
    cyrene 12.76
    2-ethoxyethyl acetate 4.91
    2-ethylhexyl acetate 0.47
    1,2,4-trichlorobenzene 1.15
    4-methylpyridine 1.93
    dibutyl ether 0.25
    2,6-dimethyl-4-heptanol 0.1
    DEF 3.2
    dimethyl isosorbide 10.58
    tetrachloroethylene 2.23
    eugenol 4.69
    triacetin 5.26
    span 80 4.15
    1,4-butanediol 1.21
    1,1-dichloroethane 0.52
    2-methyl-1-pentanol 0.18
    methyl formate 18.36
    2-methyl-1-butanol 0.17
    n-decane 0.03
    butyronitrile 0.35
    3,7-dimethyl-1-octanol 0.25
    1-chlorooctane 0.14
    1-chlorotetradecane 0.04
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.5
    tetrahydropyran 0.86
    tert-amyl methyl ether 0.23
    2,5,8-trioxanonane 8.6
    1-hexene 0.04
    2-isopropoxyethanol 2.45
    2,2,2-trifluoroethanol 11.95
    methyl butyrate 1.07

    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