Calenduloside H

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  • Identifiers

    CAS number
    26020-29-1

    Molecular formula
    C48H76O19

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 54.18%
    Woody 39.52%
    Spicy 32.3%
    Balsamic 26.61%
    Cooling 26.4%
    Amber 25.89%
    Sweet 25.83%
    Dry 24.89%
    Mint 22.11%
    Warm 21.43%

     

    Flavor
    Bitter 60.3%
    Odorless 30.79%
    Sweet 27.0%
    Sweet-like 26.8%
    Fatty 25.95%
    Bland 25.32%
    Cedarleaf 21.98%
    Patchouli 21.06%
    Fir 20.62%
    Soil 20.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    2.5 (strong acid)

    Molecular weight
    957.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1815°C

    Flash point

    • 258.07 ˚C est.

  • Synonyms

    • Calenduloside H
    • UNII-XRX4A17TSS
    • XRX4A17TSS
    • beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-o-beta-D-galactopyranosyl-
    • DTXSID60180670
    • RefChem:31128
    • DTXCID00103161
    • Calendulaglycoside C
    • 26020-29-1
    • calendulagycoside C
    • CHEMBL504681
    • SCHEMBL29403391
    • HY-N13143
    • Q27293972
    • .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.)-28-(.BETA.-D-GLUCOPYRANOSYLOXY)-28-OXOOLEAN-12-EN-3-YL 3-O-.BETA.-D-GALACTOPYRANOSYL-
    • 26020-29-1

  • Applications

    Calenduloside H, CAS 26020-29-1, is a triterpenoid saponin glycoside commonly sourced from Calendula officinalis, often functioning as a natural surfactant. In cosmetics and personal care, it may be used as a surfactant and mild emulsifier to improve cleansing performance and stabilize emulsions in skin and hair care formulations. In household cleaning and detergent products, it can serve as a surface-active ingredient aiding cleaning efficiency. In coatings and inks, Calenduloside H may act as an emulsion/stabilization additive and pigment dispersion aid. In industrial manufacturing, it can serve as a processing aid to optimize mixing and compatibility in formulations. Additionally, it is being explored for pharmaceutical/biotechnological applications as a natural glycoside scaffold and may be considered as a starting material for product development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.16
    methanol 20.51
    isopropanol 0.75
    water 0.07
    ethyl acetate 1.89
    n-propanol 1.26
    acetone 4.28
    n-butanol 0.49
    acetonitrile 1.44
    DMF 50.68
    toluene 0.56
    isobutanol 0.48
    1,4-dioxane 8.2
    methyl acetate 2.69
    THF 17.19
    2-butanone 2.48
    n-pentanol 0.45
    sec-butanol 0.45
    n-hexane 0.02
    ethylene glycol 4.46
    NMP 45.77
    cyclohexane 0.04
    DMSO 42.01
    n-butyl acetate 0.75
    n-octanol 0.51
    chloroform 3.23
    n-propyl acetate 0.91
    acetic acid 26.01
    dichloromethane 3.01
    cyclohexanone 3.02
    propylene glycol 4.2
    isopropyl acetate 1.1
    DMAc 41.06
    2-ethoxyethanol 7.19
    isopentanol 0.3
    n-heptane 0.04
    ethyl formate 1.93
    1,2-dichloroethane 1.53
    n-hexanol 0.37
    2-methoxyethanol 18.33
    isobutyl acetate 0.45
    tetrachloromethane 0.39
    n-pentyl acetate 1.31
    transcutol 13.53
    n-heptanol 0.6
    ethylbenzene 0.19
    MIBK 0.82
    2-propoxyethanol 7.7
    tert-butanol 0.56
    MTBE 0.51
    2-butoxyethanol 4.85
    propionic acid 3.08
    o-xylene 0.39
    formic acid 31.12
    diethyl ether 0.82
    m-xylene 0.38
    p-xylene 0.25
    chlorobenzene 0.56
    dimethyl carbonate 6.71
    n-octane 0.02
    formamide 23.27
    cyclopentanone 9.51
    2-pentanone 1.46
    anisole 1.1
    cyclopentyl methyl ether 2.27
    gamma-butyrolactone 15.5
    1-methoxy-2-propanol 9.73
    pyridine 4.98
    3-pentanone 1.51
    furfural 14.79
    n-dodecane 0.01
    diethylene glycol 11.6
    diisopropyl ether 0.17
    tert-amyl alcohol 0.42
    acetylacetone 6.08
    n-hexadecane 0.02
    acetophenone 1.82
    methyl propionate 3.5
    isopentyl acetate 0.58
    trichloroethylene 5.37
    n-nonanol 0.53
    cyclohexanol 0.43
    benzyl alcohol 1.43
    2-ethylhexanol 0.19
    isooctanol 0.39
    dipropyl ether 0.62
    1,2-dichlorobenzene 0.64
    ethyl lactate 1.97
    propylene carbonate 4.42
    n-methylformamide 19.25
    2-pentanol 0.25
    n-pentane 0.03
    1-propoxy-2-propanol 3.83
    1-methoxy-2-propyl acetate 3.83
    2-(2-methoxypropoxy) propanol 3.93
    mesitylene 0.2
    ε-caprolactone 3.41
    p-cymene 0.16
    epichlorohydrin 11.7
    1,1,1-trichloroethane 0.86
    2-aminoethanol 4.95
    morpholine-4-carbaldehyde 39.64
    sulfolane 33.22
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.43
    n-hexyl acetate 1.32
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.48
    sec-butyl acetate 0.49
    tert-butyl acetate 1.24
    decalin 0.02
    glycerin 14.07
    diglyme 11.9
    acrylic acid 7.58
    isopropyl myristate 0.31
    n-butyric acid 2.12
    acetyl acetate 2.68
    di(2-ethylhexyl) phthalate 0.73
    ethyl propionate 0.96
    nitromethane 37.7
    1,2-diethoxyethane 1.9
    benzonitrile 0.9
    trioctyl phosphate 0.46
    1-bromopropane 0.34
    gamma-valerolactone 26.73
    n-decanol 0.3
    triethyl phosphate 0.59
    4-methyl-2-pentanol 0.17
    propionitrile 0.8
    vinylene carbonate 5.34
    1,1,2-trichlorotrifluoroethane 24.97
    DMS 2.5
    cumene 0.12
    2-octanol 0.29
    2-hexanone 0.83
    octyl acetate 0.63
    limonene 0.2
    1,2-dimethoxyethane 8.25
    ethyl orthosilicate 0.51
    tributyl phosphate 0.38
    diacetone alcohol 3.36
    N,N-dimethylaniline 1.03
    acrylonitrile 2.34
    aniline 1.03
    1,3-propanediol 3.5
    bromobenzene 0.47
    dibromomethane 1.1
    1,1,2,2-tetrachloroethane 3.77
    2-methyl-cyclohexyl acetate 0.7
    tetrabutyl urea 0.84
    diisobutyl methanol 0.13
    2-phenylethanol 1.24
    styrene 0.24
    dioctyl adipate 0.84
    dimethyl sulfate 15.63
    ethyl butyrate 0.75
    methyl lactate 8.02
    butyl lactate 1.93
    diethyl carbonate 0.53
    propanediol butyl ether 5.63
    triethyl orthoformate 0.93
    p-tert-butyltoluene 0.18
    methyl 4-tert-butylbenzoate 3.06
    morpholine 9.07
    tert-butylamine 0.15
    n-dodecanol 0.17
    dimethoxymethane 22.13
    ethylene carbonate 2.91
    cyrene 9.31
    2-ethoxyethyl acetate 3.92
    2-ethylhexyl acetate 0.42
    1,2,4-trichlorobenzene 1.13
    4-methylpyridine 2.23
    dibutyl ether 0.3
    2,6-dimethyl-4-heptanol 0.13
    DEF 3.88
    dimethyl isosorbide 8.03
    tetrachloroethylene 2.93
    eugenol 3.17
    triacetin 4.04
    span 80 3.67
    1,4-butanediol 1.58
    1,1-dichloroethane 0.82
    2-methyl-1-pentanol 0.25
    methyl formate 17.18
    2-methyl-1-butanol 0.31
    n-decane 0.03
    butyronitrile 0.43
    3,7-dimethyl-1-octanol 0.27
    1-chlorooctane 0.16
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 1.08
    tetrahydropyran 1.83
    tert-amyl methyl ether 0.49
    2,5,8-trioxanonane 7.3
    1-hexene 0.08
    2-isopropoxyethanol 2.82
    2,2,2-trifluoroethanol 8.92
    methyl butyrate 1.17

    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