Ceposide D

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  • Identifiers

    CAS number
    122018-50-2

    Molecular formula
    C56H90O26

    SMILES
    CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1

    Safety labels

  • Odor profile

    Fragrance
    Odorless 63.75%
    Sweet 32.14%
    Woody 25.37%
    Cooling 21.67%
    Spicy 20.11%
    Vanilla 18.72%
    Mint 17.63%
    Milky 17.4%
    Warm 16.86%
    Clean 16.14%

     

    Flavor
    Bitter 45.34%
    Sweet 45.25%
    Fatty 40.15%
    Odorless 35.18%
    Sweet-like 29.04%
    Metallic 22.33%
    Cauliflower 21.95%
    Bland 21.41%
    Alkaline 21.29%
    Mentholic 20.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.7

    pKa est.
    0.35 (strong acid)

    Molecular weight
    1179.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3471°C

    Flash point

    • 119.86 ˚C est.

  • Synonyms

    • Ceposide D
    • DTXSID601099151
    • 122018-50-2
    • I+/--L-Arabinopyranoside, (3I(2),25R)-spirost-5-en-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-O-I(2)-D-galactopyranosyl-(1a4)-O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-
    • 122018-50-2

  • Applications

    Ceposide D (CAS 122018-50-2) is a natural glycoside that is treated as an intermediate or building block in organic synthesis and may serve as a starting material for subsequent steps. In practice, its potential applications include perfumery/fragrance as a scent precursor, cosmetics/personal care as a fragrance component or functional ingredient, and flavor/food processing as a flavor precursor under evaluation; it may also be considered in pharmaceutical research as an intermediate for active compounds or as a tool in medicinal chemistry. Additionally, Ceposide D can be used in specialty chemical applications as an analytical reference standard or as a component for materials development at the research scale. Use depends on purity, formulation requirements, and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.15
    methanol 12.81
    isopropanol 0.32
    water 0.24
    ethyl acetate 1.17
    n-propanol 0.6
    acetone 2.57
    n-butanol 0.29
    acetonitrile 1.22
    DMF 28.16
    toluene 0.29
    isobutanol 0.24
    1,4-dioxane 5.21
    methyl acetate 1.6
    THF 6.88
    2-butanone 1.34
    n-pentanol 0.3
    sec-butanol 0.21
    n-hexane 0.01
    ethylene glycol 3.51
    NMP 28.55
    cyclohexane 0.02
    DMSO 38.28
    n-butyl acetate 0.66
    n-octanol 0.62
    chloroform 2.0
    n-propyl acetate 0.74
    acetic acid 19.63
    dichloromethane 2.22
    cyclohexanone 2.23
    propylene glycol 2.02
    isopropyl acetate 0.73
    DMAc 24.14
    2-ethoxyethanol 5.94
    isopentanol 0.18
    n-heptane 0.03
    ethyl formate 1.82
    1,2-dichloroethane 0.93
    n-hexanol 0.26
    2-methoxyethanol 12.07
    isobutyl acetate 0.4
    tetrachloromethane 0.23
    n-pentyl acetate 1.64
    transcutol 14.88
    n-heptanol 0.67
    ethylbenzene 0.12
    MIBK 0.59
    2-propoxyethanol 5.49
    tert-butanol 0.22
    MTBE 0.23
    2-butoxyethanol 5.57
    propionic acid 2.0
    o-xylene 0.22
    formic acid 40.41
    diethyl ether 0.41
    m-xylene 0.21
    p-xylene 0.17
    chlorobenzene 0.41
    dimethyl carbonate 4.93
    n-octane 0.02
    formamide 26.76
    cyclopentanone 5.05
    2-pentanone 0.94
    anisole 0.84
    cyclopentyl methyl ether 1.15
    gamma-butyrolactone 8.97
    1-methoxy-2-propanol 5.23
    pyridine 3.18
    3-pentanone 0.86
    furfural 16.56
    n-dodecane 0.02
    diethylene glycol 8.76
    diisopropyl ether 0.1
    tert-amyl alcohol 0.2
    acetylacetone 4.74
    n-hexadecane 0.02
    acetophenone 1.6
    methyl propionate 2.01
    isopentyl acetate 0.54
    trichloroethylene 3.49
    n-nonanol 0.66
    cyclohexanol 0.25
    benzyl alcohol 1.17
    2-ethylhexanol 0.17
    isooctanol 0.41
    dipropyl ether 0.48
    1,2-dichlorobenzene 0.53
    ethyl lactate 1.81
    propylene carbonate 3.4
    n-methylformamide 13.1
    2-pentanol 0.13
    n-pentane 0.01
    1-propoxy-2-propanol 2.83
    1-methoxy-2-propyl acetate 3.02
    2-(2-methoxypropoxy) propanol 4.37
    mesitylene 0.12
    ε-caprolactone 2.83
    p-cymene 0.16
    epichlorohydrin 7.06
    1,1,1-trichloroethane 0.47
    2-aminoethanol 3.17
    morpholine-4-carbaldehyde 32.92
    sulfolane 24.57
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.09
    n-hexyl acetate 1.6
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.73
    sec-butyl acetate 0.38
    tert-butyl acetate 0.78
    decalin 0.01
    glycerin 10.1
    diglyme 14.54
    acrylic acid 5.74
    isopropyl myristate 0.38
    n-butyric acid 1.61
    acetyl acetate 2.31
    di(2-ethylhexyl) phthalate 1.02
    ethyl propionate 0.71
    nitromethane 34.19
    1,2-diethoxyethane 1.91
    benzonitrile 1.04
    trioctyl phosphate 0.63
    1-bromopropane 0.19
    gamma-valerolactone 23.03
    n-decanol 0.37
    triethyl phosphate 0.64
    4-methyl-2-pentanol 0.1
    propionitrile 0.54
    vinylene carbonate 5.2
    1,1,2-trichlorotrifluoroethane 21.37
    DMS 2.17
    cumene 0.09
    2-octanol 0.32
    2-hexanone 0.64
    octyl acetate 0.82
    limonene 0.18
    1,2-dimethoxyethane 6.73
    ethyl orthosilicate 0.53
    tributyl phosphate 0.52
    diacetone alcohol 2.14
    N,N-dimethylaniline 0.7
    acrylonitrile 1.77
    aniline 0.67
    1,3-propanediol 2.44
    bromobenzene 0.35
    dibromomethane 0.73
    1,1,2,2-tetrachloroethane 2.07
    2-methyl-cyclohexyl acetate 0.68
    tetrabutyl urea 1.03
    diisobutyl methanol 0.11
    2-phenylethanol 1.1
    styrene 0.17
    dioctyl adipate 1.14
    dimethyl sulfate 13.01
    ethyl butyrate 0.67
    methyl lactate 5.63
    butyl lactate 2.56
    diethyl carbonate 0.52
    propanediol butyl ether 6.14
    triethyl orthoformate 0.87
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 3.37
    morpholine 4.91
    tert-butylamine 0.07
    n-dodecanol 0.22
    dimethoxymethane 12.05
    ethylene carbonate 2.7
    cyrene 8.98
    2-ethoxyethyl acetate 5.21
    2-ethylhexyl acetate 0.43
    1,2,4-trichlorobenzene 0.88
    4-methylpyridine 1.63
    dibutyl ether 0.33
    2,6-dimethyl-4-heptanol 0.11
    DEF 2.79
    dimethyl isosorbide 8.52
    tetrachloroethylene 1.68
    eugenol 4.07
    triacetin 5.26
    span 80 4.21
    1,4-butanediol 1.28
    1,1-dichloroethane 0.44
    2-methyl-1-pentanol 0.17
    methyl formate 13.01
    2-methyl-1-butanol 0.18
    n-decane 0.04
    butyronitrile 0.35
    3,7-dimethyl-1-octanol 0.29
    1-chlorooctane 0.17
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.5
    tetrahydropyran 0.9
    tert-amyl methyl ether 0.25
    2,5,8-trioxanonane 9.31
    1-hexene 0.04
    2-isopropoxyethanol 2.42
    2,2,2-trifluoroethanol 9.56
    methyl butyrate 0.93

    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