Tomatoside A

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  • Identifiers

    CAS number
    75557-22-1

    Molecular formula
    C51H86O24

    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(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)O[C@@]1(CC[C@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 64.05%
    Sweet 36.78%
    Cooling 26.47%
    Woody 24.04%
    Mint 21.98%
    Alcoholic 18.57%
    Milky 18.0%
    Spicy 17.44%
    Warm 17.34%
    Vanilla 17.11%

     

    Flavor
    Sweet 52.55%
    Bitter 42.59%
    Odorless 41.32%
    Fatty 36.76%
    Sweet-like 30.13%
    Cauliflower 22.02%
    Bland 21.98%
    Mentholic 21.13%
    Metallic 21.11%
    Very slight 21.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    4.81 (weak acid)

    Molecular weight
    1083.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3554°C

    Flash point

    • 237.31 ˚C est.

  • Synonyms

    • Tomatoside A
    • 75557-22-1
    • 2-(4-(16-(5-(4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-6-hydroxy-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
    • 2-[4-[16-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-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
    • RefChem:190362
    • CHEBI:230857
    • DTXSID901318013
    • (22R,25S)-26-(beta-D-Glucopyranosyloxy)-22-hydroxy-5alpha-furostan-3beta-yl beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside
    • 75557-22-1

  • Applications

    Tomatoside A (CAS 75557-22-1) is a natural glycoside derived from tomato and is actively evaluated for research and development across multiple sectors. It may serve as an ingredient in cosmetics/personal care with potential bioactive properties, and as an intermediate or starting material for pharmaceutical synthesis, and it is considered in the fragrance arena as a prospective precursor. Owing to its biogenic origin and properties, it is also explored for applications in materials and polymers at the research level, as a biologically derived additive or stabilizer for coatings or polymer matrices. Additionally, it may be considered for cleaning or household product formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.11
    methanol 10.97
    isopropanol 0.3
    water 0.58
    ethyl acetate 1.12
    n-propanol 0.52
    acetone 2.66
    n-butanol 0.26
    acetonitrile 1.05
    DMF 24.23
    toluene 0.29
    isobutanol 0.2
    1,4-dioxane 4.79
    methyl acetate 1.31
    THF 7.23
    2-butanone 1.21
    n-pentanol 0.26
    sec-butanol 0.17
    n-hexane 0.01
    ethylene glycol 3.65
    NMP 26.99
    cyclohexane 0.03
    DMSO 43.5
    n-butyl acetate 0.57
    n-octanol 0.49
    chloroform 1.46
    n-propyl acetate 0.67
    acetic acid 17.13
    dichloromethane 1.72
    cyclohexanone 2.16
    propylene glycol 1.69
    isopropyl acetate 0.74
    DMAc 20.32
    2-ethoxyethanol 4.9
    isopentanol 0.16
    n-heptane 0.03
    ethyl formate 1.56
    1,2-dichloroethane 0.85
    n-hexanol 0.24
    2-methoxyethanol 10.38
    isobutyl acetate 0.34
    tetrachloromethane 0.23
    n-pentyl acetate 1.34
    transcutol 10.88
    n-heptanol 0.57
    ethylbenzene 0.12
    MIBK 0.56
    2-propoxyethanol 4.57
    tert-butanol 0.2
    MTBE 0.19
    2-butoxyethanol 4.31
    propionic acid 1.62
    o-xylene 0.23
    formic acid 39.56
    diethyl ether 0.41
    m-xylene 0.23
    p-xylene 0.17
    chlorobenzene 0.37
    dimethyl carbonate 4.58
    n-octane 0.02
    formamide 26.76
    cyclopentanone 5.13
    2-pentanone 0.97
    anisole 0.64
    cyclopentyl methyl ether 1.29
    gamma-butyrolactone 9.21
    1-methoxy-2-propanol 4.63
    pyridine 2.77
    3-pentanone 0.82
    furfural 13.72
    n-dodecane 0.02
    diethylene glycol 8.25
    diisopropyl ether 0.1
    tert-amyl alcohol 0.17
    acetylacetone 4.69
    n-hexadecane 0.02
    acetophenone 1.39
    methyl propionate 1.88
    isopentyl acetate 0.44
    trichloroethylene 2.7
    n-nonanol 0.52
    cyclohexanol 0.25
    benzyl alcohol 0.92
    2-ethylhexanol 0.15
    isooctanol 0.35
    dipropyl ether 0.44
    1,2-dichlorobenzene 0.44
    ethyl lactate 1.48
    propylene carbonate 3.22
    n-methylformamide 10.73
    2-pentanol 0.12
    n-pentane 0.01
    1-propoxy-2-propanol 2.31
    1-methoxy-2-propyl acetate 2.63
    2-(2-methoxypropoxy) propanol 3.01
    mesitylene 0.13
    ε-caprolactone 2.5
    p-cymene 0.15
    epichlorohydrin 6.46
    1,1,1-trichloroethane 0.4
    2-aminoethanol 2.87
    morpholine-4-carbaldehyde 27.56
    sulfolane 26.67
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.09
    n-hexyl acetate 1.2
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.04
    sec-butyl acetate 0.34
    tert-butyl acetate 0.76
    decalin 0.02
    glycerin 8.8
    diglyme 10.46
    acrylic acid 4.78
    isopropyl myristate 0.31
    n-butyric acid 1.41
    acetyl acetate 2.3
    di(2-ethylhexyl) phthalate 0.78
    ethyl propionate 0.68
    nitromethane 28.71
    1,2-diethoxyethane 1.57
    benzonitrile 0.82
    trioctyl phosphate 0.51
    1-bromopropane 0.17
    gamma-valerolactone 19.66
    n-decanol 0.3
    triethyl phosphate 0.55
    4-methyl-2-pentanol 0.09
    propionitrile 0.43
    vinylene carbonate 4.51
    1,1,2-trichlorotrifluoroethane 16.64
    DMS 1.82
    cumene 0.09
    2-octanol 0.28
    2-hexanone 0.58
    octyl acetate 0.65
    limonene 0.17
    1,2-dimethoxyethane 5.17
    ethyl orthosilicate 0.46
    tributyl phosphate 0.4
    diacetone alcohol 1.95
    N,N-dimethylaniline 0.61
    acrylonitrile 1.36
    aniline 0.62
    1,3-propanediol 2.17
    bromobenzene 0.32
    dibromomethane 0.64
    1,1,2,2-tetrachloroethane 1.75
    2-methyl-cyclohexyl acetate 0.58
    tetrabutyl urea 0.85
    diisobutyl methanol 0.1
    2-phenylethanol 0.9
    styrene 0.16
    dioctyl adipate 0.86
    dimethyl sulfate 12.68
    ethyl butyrate 0.61
    methyl lactate 4.92
    butyl lactate 1.94
    diethyl carbonate 0.45
    propanediol butyl ether 4.71
    triethyl orthoformate 0.74
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 2.77
    morpholine 4.28
    tert-butylamine 0.06
    n-dodecanol 0.18
    dimethoxymethane 10.54
    ethylene carbonate 2.42
    cyrene 7.2
    2-ethoxyethyl acetate 4.0
    2-ethylhexyl acetate 0.37
    1,2,4-trichlorobenzene 0.7
    4-methylpyridine 1.32
    dibutyl ether 0.28
    2,6-dimethyl-4-heptanol 0.1
    DEF 2.56
    dimethyl isosorbide 6.95
    tetrachloroethylene 1.63
    eugenol 3.1
    triacetin 3.92
    span 80 3.19
    1,4-butanediol 1.12
    1,1-dichloroethane 0.38
    2-methyl-1-pentanol 0.14
    methyl formate 11.13
    2-methyl-1-butanol 0.15
    n-decane 0.04
    butyronitrile 0.3
    3,7-dimethyl-1-octanol 0.23
    1-chlorooctane 0.15
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.51
    tetrahydropyran 0.88
    tert-amyl methyl ether 0.22
    2,5,8-trioxanonane 6.91
    1-hexene 0.04
    2-isopropoxyethanol 1.98
    2,2,2-trifluoroethanol 9.81
    methyl butyrate 0.84

    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