Capsicoside A

Overview IFRA Request a quote

  • Identifiers

    CAS number
    54999-56-3

    Molecular formula
    C63H106O35

    SMILES
    C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 70.34%
    Sweet 37.37%
    Cooling 24.17%
    Alcoholic 20.58%
    Woody 20.17%
    Mint 17.71%
    Milky 17.26%
    Savory 16.58%
    Bitter 16.49%
    Vanilla 16.4%

     

    Flavor
    Sweet 58.25%
    Odorless 45.16%
    Bitter 44.69%
    Fatty 34.55%
    Sweet-like 31.35%
    Bland 22.36%
    Cauliflower 21.98%
    Very slight 21.19%
    Alkaline 20.87%
    Mentholic 20.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -5.6

    pKa est.
    1.54 (strong acid)

    Molecular weight
    1423.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3788°C

    Flash point

    • 150.54 ˚C est.

  • Synonyms

    • Capsicoside A
    • DTXSID00331649
    • (3S,5S,8R,9S,10S,13R,14S,16S,17R)-5,14,16-trihydroxy-3-((2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-10-carbaldehyde
    • (3S,5S,8R,9S,10S,13R,14S,16S,17R)-5,14,16-trihydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
    • RefChem:123327
    • DTXCID00282743
    • (2R,3R,4S,5S,6R)-2-((2R)-4-((1R,2S,4S,6R,7S,8R,9S,12S,13S,15R,16R,18S)-16-((2R,3R,4S,5R,6R)-4-((2S,3R,4R,5R,6R)-3,4-dihydroxy-5-((2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxan-2-yl)oxy-6-(hydroxymethyl)oxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-6,15-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosan-6-yl)-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
    • (2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,15R,16R,18S)-16-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,15-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • 54999-56-3
    • C08889
    • CHEBI:3376
    • Q27106053
    • (22R,25R)-26-(beta-D-Glucopyranosyloxy)-2alpha,22-dihydroxy-5alpha-furostan-3beta-yl beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->3)-beta-D-glucopyranoside
    • 54999-56-3

  • Applications

    Capsicoside A (CAS 54999-56-3) is viewed as a potential surfactant and emulsifier, with possible use in cosmetics and personal care formulations and in household cleaning products. It may serve as an industrial intermediate or building block in chemical synthesis, and can function as a processing aid or stabilizer in polymers and plastics. It is also evaluated for applications in coatings and inks as an additive, and may be explored as a lead compound or research material in pharmaceutical and biochemical contexts, subject to local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.38
    methanol 12.05
    isopropanol 0.37
    water 0.91
    ethyl acetate 1.24
    n-propanol 0.64
    acetone 2.46
    n-butanol 0.32
    acetonitrile 1.1
    DMF 29.05
    toluene 0.31
    isobutanol 0.23
    1,4-dioxane 5.03
    methyl acetate 1.51
    THF 7.04
    2-butanone 1.34
    n-pentanol 0.3
    sec-butanol 0.22
    n-hexane 0.02
    ethylene glycol 4.57
    NMP 30.84
    cyclohexane 0.04
    DMSO 46.44
    n-butyl acetate 0.63
    n-octanol 0.54
    chloroform 1.27
    n-propyl acetate 0.71
    acetic acid 16.49
    dichloromethane 1.56
    cyclohexanone 2.08
    propylene glycol 2.14
    isopropyl acetate 0.77
    DMAc 24.6
    2-ethoxyethanol 5.68
    isopentanol 0.18
    n-heptane 0.05
    ethyl formate 1.7
    1,2-dichloroethane 0.82
    n-hexanol 0.27
    2-methoxyethanol 12.48
    isobutyl acetate 0.33
    tetrachloromethane 0.21
    n-pentyl acetate 1.37
    transcutol 11.98
    n-heptanol 0.63
    ethylbenzene 0.13
    MIBK 0.53
    2-propoxyethanol 5.14
    tert-butanol 0.23
    MTBE 0.21
    2-butoxyethanol 4.7
    propionic acid 1.9
    o-xylene 0.24
    formic acid 44.65
    diethyl ether 0.49
    m-xylene 0.24
    p-xylene 0.16
    chlorobenzene 0.32
    dimethyl carbonate 5.25
    n-octane 0.03
    formamide 31.51
    cyclopentanone 4.89
    2-pentanone 0.99
    anisole 0.65
    cyclopentyl methyl ether 1.4
    gamma-butyrolactone 9.27
    1-methoxy-2-propanol 5.66
    pyridine 2.82
    3-pentanone 0.89
    furfural 13.61
    n-dodecane 0.02
    diethylene glycol 9.27
    diisopropyl ether 0.11
    tert-amyl alcohol 0.2
    acetylacetone 4.3
    n-hexadecane 0.02
    acetophenone 1.36
    methyl propionate 2.19
    isopentyl acetate 0.45
    trichloroethylene 2.32
    n-nonanol 0.57
    cyclohexanol 0.3
    benzyl alcohol 0.91
    2-ethylhexanol 0.16
    isooctanol 0.37
    dipropyl ether 0.55
    1,2-dichlorobenzene 0.38
    ethyl lactate 1.68
    propylene carbonate 3.1
    n-methylformamide 12.76
    2-pentanol 0.16
    n-pentane 0.02
    1-propoxy-2-propanol 2.68
    1-methoxy-2-propyl acetate 2.83
    2-(2-methoxypropoxy) propanol 3.19
    mesitylene 0.14
    ε-caprolactone 2.6
    p-cymene 0.16
    epichlorohydrin 6.14
    1,1,1-trichloroethane 0.34
    2-aminoethanol 3.51
    morpholine-4-carbaldehyde 31.8
    sulfolane 25.53
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.19
    n-hexyl acetate 1.18
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.31
    sec-butyl acetate 0.35
    tert-butyl acetate 0.76
    decalin 0.02
    glycerin 10.89
    diglyme 11.35
    acrylic acid 5.33
    isopropyl myristate 0.31
    n-butyric acid 1.57
    acetyl acetate 2.13
    di(2-ethylhexyl) phthalate 0.7
    ethyl propionate 0.76
    nitromethane 28.27
    1,2-diethoxyethane 1.8
    benzonitrile 0.73
    trioctyl phosphate 0.49
    1-bromopropane 0.19
    gamma-valerolactone 19.19
    n-decanol 0.34
    triethyl phosphate 0.6
    4-methyl-2-pentanol 0.1
    propionitrile 0.48
    vinylene carbonate 4.28
    1,1,2-trichlorotrifluoroethane 16.8
    DMS 1.96
    cumene 0.09
    2-octanol 0.32
    2-hexanone 0.59
    octyl acetate 0.65
    limonene 0.19
    1,2-dimethoxyethane 5.79
    ethyl orthosilicate 0.51
    tributyl phosphate 0.39
    diacetone alcohol 2.0
    N,N-dimethylaniline 0.64
    acrylonitrile 1.49
    aniline 0.66
    1,3-propanediol 2.68
    bromobenzene 0.28
    dibromomethane 0.59
    1,1,2,2-tetrachloroethane 1.56
    2-methyl-cyclohexyl acetate 0.55
    tetrabutyl urea 0.87
    diisobutyl methanol 0.11
    2-phenylethanol 0.86
    styrene 0.16
    dioctyl adipate 0.82
    dimethyl sulfate 14.12
    ethyl butyrate 0.68
    methyl lactate 5.78
    butyl lactate 2.04
    diethyl carbonate 0.49
    propanediol butyl ether 5.06
    triethyl orthoformate 0.84
    p-tert-butyltoluene 0.15
    methyl 4-tert-butylbenzoate 2.7
    morpholine 4.96
    tert-butylamine 0.07
    n-dodecanol 0.2
    dimethoxymethane 12.06
    ethylene carbonate 2.38
    cyrene 7.3
    2-ethoxyethyl acetate 4.05
    2-ethylhexyl acetate 0.38
    1,2,4-trichlorobenzene 0.6
    4-methylpyridine 1.33
    dibutyl ether 0.33
    2,6-dimethyl-4-heptanol 0.11
    DEF 3.01
    dimethyl isosorbide 7.07
    tetrachloroethylene 1.46
    eugenol 3.12
    triacetin 3.97
    span 80 3.32
    1,4-butanediol 1.26
    1,1-dichloroethane 0.36
    2-methyl-1-pentanol 0.16
    methyl formate 12.3
    2-methyl-1-butanol 0.18
    n-decane 0.05
    butyronitrile 0.33
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.17
    1-chlorotetradecane 0.05
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.03
    cyclopentanol 0.58
    tetrahydropyran 0.98
    tert-amyl methyl ether 0.27
    2,5,8-trioxanonane 7.43
    1-hexene 0.05
    2-isopropoxyethanol 2.23
    2,2,2-trifluoroethanol 10.01
    methyl butyrate 0.92

    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