Helianthoside A

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  • Identifiers

    CAS number
    139164-70-8

    Molecular formula
    C53H86O21

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@H]4CC[C@]5([C@H](C4(C)C)CC[C@@]6([C@@H]5CC=C7[C@]6(C[C@H]([C@@]8([C@H]7CC(CC8)(C)C)C(=O)O)O)C)C)C)CO[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)C)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.39%
    Woody 37.89%
    Sweet 31.39%
    Spicy 30.05%
    Cooling 25.26%
    Balsamic 22.56%
    Dry 21.98%
    Amber 21.76%
    Mint 21.57%
    Warm 20.37%

     

    Flavor
    Bitter 53.95%
    Sweet 33.21%
    Fatty 31.38%
    Odorless 30.9%
    Sweet-like 27.45%
    Bland 23.53%
    Cedarleaf 21.78%
    Patchouli 21.04%
    Mentholic 20.93%
    Metallic 20.82%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    2.31 (strong acid)

    Molecular weight
    1059.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2448°C

    Flash point

    • 218.26 ˚C est.

  • Synonyms

    • Helianthoside A
    • 139164-70-8
    • DTXSID50331674
    • 10-((4-((3,4-dihydroxy-6-methyl-5-((3,4,5-trihydroxy-6-methyloxan-2-yl)oxy)oxan-2-yl)oxy)-3,5-dihydroxy-6-(((3,4,5-trihydroxyoxan-2-yl)oxy)methyl)oxan-2-yl)oxy)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
    • 10-{[4-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl]oxy}-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
    • RefChem:145464
    • DTXCID00282768
    • (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-((2R,3R,4R,5S,6R)-5-((2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl)oxy-3,4-dihydroxy-6-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl)oxymethyl)tetrahydropyran-2-yl)oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • C08956
    • CHEBI:5639
    • Q27106839
    • 3beta-{[6-Deoxy-alpha-L-mannopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->4)-[beta-D-xylopyranosyl-(1->6)]-beta-D-glucopyranosyl]oxy}-16alpha-hydroxyolean-12-en-28-oic acid
    • 139164-70-8

  • Applications

    Helianthoside A (CAS 139164-70-8) is a plant-derived glycoside that may serve as a natural product intermediate in chemical synthesis and product development across various industries; in cosmetics and personal care it can be used as a plant-based ingredient and may function as a fragrance component or stabilizer in formulations; in the fragrance sector it is evaluated as a potential odorant or scent fixative; in coatings, inks and other industrial applications it can act as a specialty additive to improve formulation stability and polymer adhesion; and in botanical extract quality control it may serve as a marker compound to assess the origin and purity of extracts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.39
    methanol 19.2
    isopropanol 0.38
    water 0.06
    ethyl acetate 0.97
    n-propanol 0.75
    acetone 2.05
    n-butanol 0.31
    acetonitrile 0.7
    DMF 33.1
    toluene 0.39
    isobutanol 0.29
    1,4-dioxane 5.97
    methyl acetate 1.32
    THF 10.83
    2-butanone 1.31
    n-pentanol 0.31
    sec-butanol 0.26
    n-hexane 0.02
    ethylene glycol 3.33
    NMP 32.83
    cyclohexane 0.03
    DMSO 28.13
    n-butyl acetate 0.5
    n-octanol 0.43
    chloroform 1.95
    n-propyl acetate 0.54
    acetic acid 14.23
    dichloromethane 1.96
    cyclohexanone 2.04
    propylene glycol 2.79
    isopropyl acetate 0.6
    DMAc 23.7
    2-ethoxyethanol 5.34
    isopentanol 0.19
    n-heptane 0.03
    ethyl formate 1.25
    1,2-dichloroethane 0.88
    n-hexanol 0.28
    2-methoxyethanol 13.25
    isobutyl acetate 0.3
    tetrachloromethane 0.23
    n-pentyl acetate 1.07
    transcutol 11.67
    n-heptanol 0.54
    ethylbenzene 0.15
    MIBK 0.52
    2-propoxyethanol 6.07
    tert-butanol 0.29
    MTBE 0.27
    2-butoxyethanol 4.3
    propionic acid 1.91
    o-xylene 0.28
    formic acid 26.87
    diethyl ether 0.48
    m-xylene 0.29
    p-xylene 0.18
    chlorobenzene 0.37
    dimethyl carbonate 3.87
    n-octane 0.02
    formamide 17.59
    cyclopentanone 5.52
    2-pentanone 0.9
    anisole 0.83
    cyclopentyl methyl ether 1.6
    gamma-butyrolactone 9.12
    1-methoxy-2-propanol 6.07
    pyridine 3.36
    3-pentanone 0.9
    furfural 11.77
    n-dodecane 0.01
    diethylene glycol 9.25
    diisopropyl ether 0.1
    tert-amyl alcohol 0.24
    acetylacetone 3.61
    n-hexadecane 0.01
    acetophenone 1.33
    methyl propionate 1.95
    isopentyl acetate 0.43
    trichloroethylene 3.2
    n-nonanol 0.45
    cyclohexanol 0.31
    benzyl alcohol 1.15
    2-ethylhexanol 0.16
    isooctanol 0.35
    dipropyl ether 0.44
    1,2-dichlorobenzene 0.45
    ethyl lactate 1.33
    propylene carbonate 2.76
    n-methylformamide 12.22
    2-pentanol 0.15
    n-pentane 0.02
    1-propoxy-2-propanol 2.94
    1-methoxy-2-propyl acetate 2.72
    2-(2-methoxypropoxy) propanol 3.49
    mesitylene 0.15
    ε-caprolactone 2.43
    p-cymene 0.13
    epichlorohydrin 7.51
    1,1,1-trichloroethane 0.42
    2-aminoethanol 3.71
    morpholine-4-carbaldehyde 32.81
    sulfolane 24.04
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.48
    n-hexyl acetate 1.06
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.99
    sec-butyl acetate 0.29
    tert-butyl acetate 0.76
    decalin 0.02
    glycerin 10.98
    diglyme 10.75
    acrylic acid 5.0
    isopropyl myristate 0.24
    n-butyric acid 1.3
    acetyl acetate 1.43
    di(2-ethylhexyl) phthalate 0.66
    ethyl propionate 0.55
    nitromethane 21.3
    1,2-diethoxyethane 1.43
    benzonitrile 0.65
    trioctyl phosphate 0.39
    1-bromopropane 0.2
    gamma-valerolactone 21.42
    n-decanol 0.24
    triethyl phosphate 0.46
    4-methyl-2-pentanol 0.11
    propionitrile 0.42
    vinylene carbonate 3.74
    1,1,2-trichlorotrifluoroethane 19.29
    DMS 1.67
    cumene 0.1
    2-octanol 0.25
    2-hexanone 0.55
    octyl acetate 0.49
    limonene 0.15
    1,2-dimethoxyethane 6.19
    ethyl orthosilicate 0.42
    tributyl phosphate 0.31
    diacetone alcohol 2.13
    N,N-dimethylaniline 0.81
    acrylonitrile 1.31
    aniline 0.73
    1,3-propanediol 2.22
    bromobenzene 0.33
    dibromomethane 0.73
    1,1,2,2-tetrachloroethane 2.14
    2-methyl-cyclohexyl acetate 0.56
    tetrabutyl urea 0.66
    diisobutyl methanol 0.11
    2-phenylethanol 1.06
    styrene 0.17
    dioctyl adipate 0.67
    dimethyl sulfate 10.36
    ethyl butyrate 0.49
    methyl lactate 5.15
    butyl lactate 1.7
    diethyl carbonate 0.34
    propanediol butyl ether 5.12
    triethyl orthoformate 0.7
    p-tert-butyltoluene 0.15
    methyl 4-tert-butylbenzoate 2.67
    morpholine 6.39
    tert-butylamine 0.08
    n-dodecanol 0.13
    dimethoxymethane 15.19
    ethylene carbonate 1.97
    cyrene 8.26
    2-ethoxyethyl acetate 3.18
    2-ethylhexyl acetate 0.33
    1,2,4-trichlorobenzene 0.8
    4-methylpyridine 1.54
    dibutyl ether 0.23
    2,6-dimethyl-4-heptanol 0.11
    DEF 2.57
    dimethyl isosorbide 7.3
    tetrachloroethylene 1.88
    eugenol 2.95
    triacetin 3.2
    span 80 3.31
    1,4-butanediol 1.14
    1,1-dichloroethane 0.39
    2-methyl-1-pentanol 0.18
    methyl formate 11.16
    2-methyl-1-butanol 0.21
    n-decane 0.03
    butyronitrile 0.26
    3,7-dimethyl-1-octanol 0.22
    1-chlorooctane 0.13
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.67
    tetrahydropyran 1.15
    tert-amyl methyl ether 0.3
    2,5,8-trioxanonane 6.64
    1-hexene 0.05
    2-isopropoxyethanol 2.15
    2,2,2-trifluoroethanol 5.38
    methyl butyrate 0.73

    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