Chakanoside I

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1075184-15-4

    Molecular formula
    C14H18O7

    SMILES
    C1=CC=C(C=C1)C(=O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 59.63%
    Odorless 48.26%
    Vanilla 31.64%
    Caramellic 29.87%
    Bitter 26.6%
    Almond 22.88%
    Creamy 21.69%
    Milky 21.51%
    Spicy 20.94%
    Balsamic 20.68%

     

    Flavor
    Bitter 62.5%
    Sweet 47.89%
    Odorless 38.1%
    Sweet-like 27.37%
    Bland 23.49%
    Very mild 22.72%
    Very slight 20.55%
    Cauliflower 20.43%
    Naphthalic 20.21%
    Fenugreek 20.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    5.98 (weak acid)

    Molecular weight
    298.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1209°C

    Flash point

    • 229.91 ˚C est.

  • Synonyms

    • Chakanoside I
    • 1-phenyl-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyethanone
    • 1-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone
    • RefChem:124978
    • 1075184-15-4
    • 1075184-15-4

  • Applications

    Chakanoside I (CAS 1075184-15-4) is a natural product considered mainly as an intermediate and building block for the synthesis of glycoside derivatives and related bioactive compounds. In practical terms, it may be used as an intermediate in organic synthesis; may be studied as an intermediate or fragrance precursor for fragrance formulations; may serve as a specialty ingredient or functional additive in cosmetics and personal care; may be used as a standard or research reagent in pharmaceutical development and biochemical research; and may be explored as a building block for agrochemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.77
    methanol 31.53
    isopropanol 4.8
    water 49.08
    ethyl acetate 3.08
    n-propanol 4.57
    acetone 5.8
    n-butanol 11.21
    acetonitrile 3.26
    DMF 100.12
    toluene 1.49
    isobutanol 2.06
    1,4-dioxane 11.13
    methyl acetate 2.14
    THF 15.14
    2-butanone 2.65
    n-pentanol 1.9
    sec-butanol 3.6
    n-hexane 0.13
    ethylene glycol 93.49
    NMP 53.83
    cyclohexane 1.02
    DMSO 566.26
    n-butyl acetate 0.76
    n-octanol 2.68
    chloroform 0.53
    n-propyl acetate 0.89
    acetic acid 45.0
    dichloromethane 0.73
    cyclohexanone 7.13
    propylene glycol 33.41
    isopropyl acetate 2.15
    DMAc 102.79
    2-ethoxyethanol 34.25
    isopentanol 5.3
    n-heptane 0.61
    ethyl formate 2.62
    1,2-dichloroethane 1.41
    n-hexanol 2.51
    2-methoxyethanol 115.36
    isobutyl acetate 0.43
    tetrachloromethane 0.27
    n-pentyl acetate 1.43
    transcutol 72.91
    n-heptanol 3.39
    ethylbenzene 0.63
    MIBK 3.0
    2-propoxyethanol 17.14
    tert-butanol 6.19
    MTBE 1.46
    2-butoxyethanol 11.85
    propionic acid 7.74
    o-xylene 1.83
    formic acid 214.54
    diethyl ether 2.61
    m-xylene 1.45
    p-xylene 0.61
    chlorobenzene 0.47
    dimethyl carbonate 8.92
    n-octane 0.41
    formamide 211.71
    cyclopentanone 9.95
    2-pentanone 4.76
    anisole 1.96
    cyclopentyl methyl ether 6.83
    gamma-butyrolactone 14.63
    1-methoxy-2-propanol 59.72
    pyridine 4.99
    3-pentanone 3.34
    furfural 17.31
    n-dodecane 0.25
    diethylene glycol 54.79
    diisopropyl ether 0.95
    tert-amyl alcohol 4.61
    acetylacetone 11.38
    n-hexadecane 0.28
    acetophenone 3.42
    methyl propionate 5.71
    isopentyl acetate 0.89
    trichloroethylene 1.9
    n-nonanol 2.86
    cyclohexanol 8.07
    benzyl alcohol 4.16
    2-ethylhexanol 1.47
    isooctanol 2.56
    dipropyl ether 2.59
    1,2-dichlorobenzene 0.63
    ethyl lactate 5.8
    propylene carbonate 4.95
    n-methylformamide 37.09
    2-pentanol 4.49
    n-pentane 0.29
    1-propoxy-2-propanol 10.78
    1-methoxy-2-propyl acetate 5.3
    2-(2-methoxypropoxy) propanol 14.7
    mesitylene 1.11
    ε-caprolactone 7.0
    p-cymene 0.93
    epichlorohydrin 8.84
    1,1,1-trichloroethane 0.42
    2-aminoethanol 47.77
    morpholine-4-carbaldehyde 59.89
    sulfolane 61.53
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 4.46
    n-hexyl acetate 2.04
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 21.92
    sec-butyl acetate 0.68
    tert-butyl acetate 3.1
    decalin 0.23
    glycerin 135.93
    diglyme 38.17
    acrylic acid 15.73
    isopropyl myristate 1.28
    n-butyric acid 9.13
    acetyl acetate 3.28
    di(2-ethylhexyl) phthalate 2.37
    ethyl propionate 1.49
    nitromethane 46.86
    1,2-diethoxyethane 5.51
    benzonitrile 1.55
    trioctyl phosphate 1.99
    1-bromopropane 0.58
    gamma-valerolactone 24.57
    n-decanol 2.34
    triethyl phosphate 2.16
    4-methyl-2-pentanol 2.24
    propionitrile 1.63
    vinylene carbonate 4.86
    1,1,2-trichlorotrifluoroethane 31.96
    DMS 3.59
    cumene 0.51
    2-octanol 1.84
    2-hexanone 1.08
    octyl acetate 1.85
    limonene 1.48
    1,2-dimethoxyethane 20.64
    ethyl orthosilicate 2.05
    tributyl phosphate 1.71
    diacetone alcohol 14.63
    N,N-dimethylaniline 2.78
    acrylonitrile 3.71
    aniline 3.8
    1,3-propanediol 65.75
    bromobenzene 0.36
    dibromomethane 0.46
    1,1,2,2-tetrachloroethane 2.31
    2-methyl-cyclohexyl acetate 1.73
    tetrabutyl urea 3.75
    diisobutyl methanol 1.6
    2-phenylethanol 3.51
    styrene 0.57
    dioctyl adipate 2.85
    dimethyl sulfate 26.38
    ethyl butyrate 1.48
    methyl lactate 24.76
    butyl lactate 3.94
    diethyl carbonate 1.35
    propanediol butyl ether 15.16
    triethyl orthoformate 2.24
    p-tert-butyltoluene 1.0
    methyl 4-tert-butylbenzoate 8.17
    morpholine 17.79
    tert-butylamine 2.0
    n-dodecanol 1.9
    dimethoxymethane 36.99
    ethylene carbonate 3.77
    cyrene 21.3
    2-ethoxyethyl acetate 3.63
    2-ethylhexyl acetate 0.65
    1,2,4-trichlorobenzene 1.06
    4-methylpyridine 2.81
    dibutyl ether 1.61
    2,6-dimethyl-4-heptanol 1.6
    DEF 17.33
    dimethyl isosorbide 20.78
    tetrachloroethylene 2.12
    eugenol 9.15
    triacetin 6.49
    span 80 11.69
    1,4-butanediol 16.04
    1,1-dichloroethane 0.38
    2-methyl-1-pentanol 1.59
    methyl formate 20.24
    2-methyl-1-butanol 3.86
    n-decane 0.45
    butyronitrile 1.79
    3,7-dimethyl-1-octanol 2.05
    1-chlorooctane 0.86
    1-chlorotetradecane 0.46
    n-nonane 0.42
    undecane 0.33
    tert-butylcyclohexane 0.13
    cyclooctane 0.59
    cyclopentanol 6.52
    tetrahydropyran 4.68
    tert-amyl methyl ether 2.39
    2,5,8-trioxanonane 34.38
    1-hexene 0.27
    2-isopropoxyethanol 12.17
    2,2,2-trifluoroethanol 29.65
    methyl butyrate 1.84

    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