Dihydromelilotoside

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  • Identifiers

    CAS number
    24696-05-7

    Molecular formula
    C15H20O8

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 68.48%
    Sweet 37.95%
    Vanilla 29.15%
    Milky 23.82%
    Savory 22.73%
    Bitter 20.7%
    Balsamic 20.08%
    Creamy 19.47%
    Caramellic 17.15%
    Dairy 16.94%

     

    Flavor
    Bitter 51.1%
    Odorless 48.94%
    Sweet 45.2%
    Sweet-like 28.62%
    Bland 26.98%
    Mild 25.78%
    Very mild 24.93%
    Very slight 21.19%
    Cauliflower 21.01%
    Cadaverous 20.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    5.75 (weak acid)

    Molecular weight
    328.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    967°C

    Flash point

    • 261.14 ˚C est.

  • Synonyms

    • Dihydromelilotoside
    • 3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
    • 24696-05-7
    • 3-(2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)propanoic acid
    • RefChem:133870
    • CHEMBL1087938
    • Compound NP-025238
    • 3-[2-(beta-D-Glucopyranosyloxy)phenyl]propanoic acid
    • SCHEMBL29624872
    • CHEBI:149603
    • DTXSID801315466
    • BDBM50310449
    • AKOS040736808
    • 24696-05-7

  • Applications

    Dihydromelilotoside (CAS 24696-05-7) is typically viewed as an intermediate or precursor in aroma chemistry and related industrial applications; in practical terms it may be used as a fragrance ingredient and odorant, and often serves as a starting point for the synthesis of aroma compounds used in perfumery and personal care products; it can act as a processing aid or stabilizer in cosmetic formulations; it serves as a building block for specialty polymers or coatings with fragrance-release properties; it is used as a fragrance component in household cleaning products; and it may be evaluated as an intermediate for the synthesis of related bioactive compounds in pharmaceutical and agricultural research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.3
    methanol 35.19
    isopropanol 4.39
    water 55.81
    ethyl acetate 3.44
    n-propanol 4.29
    acetone 7.9
    n-butanol 9.1
    acetonitrile 2.39
    DMF 170.52
    toluene 1.44
    isobutanol 1.84
    1,4-dioxane 12.81
    methyl acetate 1.55
    THF 14.61
    2-butanone 2.52
    n-pentanol 1.81
    sec-butanol 3.24
    n-hexane 0.18
    ethylene glycol 110.84
    NMP 89.95
    cyclohexane 1.18
    DMSO 543.58
    n-butyl acetate 0.62
    n-octanol 1.88
    chloroform 0.24
    n-propyl acetate 0.69
    acetic acid 62.3
    dichloromethane 0.28
    cyclohexanone 7.84
    propylene glycol 55.28
    isopropyl acetate 2.41
    DMAc 158.79
    2-ethoxyethanol 43.39
    isopentanol 4.58
    n-heptane 0.63
    ethyl formate 2.52
    1,2-dichloroethane 0.67
    n-hexanol 2.02
    2-methoxyethanol 161.3
    isobutyl acetate 0.31
    tetrachloromethane 0.17
    n-pentyl acetate 1.08
    transcutol 69.82
    n-heptanol 2.6
    ethylbenzene 0.54
    MIBK 2.93
    2-propoxyethanol 20.48
    tert-butanol 6.89
    MTBE 1.51
    2-butoxyethanol 11.86
    propionic acid 8.17
    o-xylene 1.68
    formic acid 307.51
    diethyl ether 2.66
    m-xylene 1.26
    p-xylene 0.49
    chlorobenzene 0.27
    dimethyl carbonate 10.36
    n-octane 0.36
    formamide 295.97
    cyclopentanone 10.73
    2-pentanone 5.49
    anisole 1.55
    cyclopentyl methyl ether 8.0
    gamma-butyrolactone 13.78
    1-methoxy-2-propanol 84.61
    pyridine 4.5
    3-pentanone 3.72
    furfural 16.06
    n-dodecane 0.21
    diethylene glycol 68.76
    diisopropyl ether 0.98
    tert-amyl alcohol 4.79
    acetylacetone 13.86
    n-hexadecane 0.24
    acetophenone 2.66
    methyl propionate 6.1
    isopentyl acetate 0.68
    trichloroethylene 0.93
    n-nonanol 2.11
    cyclohexanol 9.3
    benzyl alcohol 3.68
    2-ethylhexanol 1.15
    isooctanol 1.84
    dipropyl ether 2.74
    1,2-dichlorobenzene 0.36
    ethyl lactate 5.42
    propylene carbonate 4.47
    n-methylformamide 52.3
    2-pentanol 4.71
    n-pentane 0.38
    1-propoxy-2-propanol 10.83
    1-methoxy-2-propyl acetate 4.97
    2-(2-methoxypropoxy) propanol 15.17
    mesitylene 0.98
    ε-caprolactone 6.63
    p-cymene 0.61
    epichlorohydrin 6.61
    1,1,1-trichloroethane 0.22
    2-aminoethanol 70.51
    morpholine-4-carbaldehyde 83.12
    sulfolane 68.36
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 4.64
    n-hexyl acetate 1.56
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 22.77
    sec-butyl acetate 0.53
    tert-butyl acetate 2.92
    decalin 0.22
    glycerin 213.71
    diglyme 38.78
    acrylic acid 16.98
    isopropyl myristate 0.89
    n-butyric acid 10.68
    acetyl acetate 3.32
    di(2-ethylhexyl) phthalate 1.73
    ethyl propionate 1.29
    nitromethane 54.75
    1,2-diethoxyethane 4.75
    benzonitrile 0.92
    trioctyl phosphate 1.48
    1-bromopropane 0.32
    gamma-valerolactone 32.79
    n-decanol 1.75
    triethyl phosphate 1.55
    4-methyl-2-pentanol 1.97
    propionitrile 1.09
    vinylene carbonate 4.14
    1,1,2-trichlorotrifluoroethane 29.43
    DMS 2.83
    cumene 0.38
    2-octanol 1.42
    2-hexanone 0.95
    octyl acetate 1.32
    limonene 1.02
    1,2-dimethoxyethane 24.1
    ethyl orthosilicate 1.53
    tributyl phosphate 1.3
    diacetone alcohol 16.53
    N,N-dimethylaniline 2.48
    acrylonitrile 2.4
    aniline 3.98
    1,3-propanediol 81.14
    bromobenzene 0.2
    dibromomethane 0.18
    1,1,2,2-tetrachloroethane 1.44
    2-methyl-cyclohexyl acetate 1.28
    tetrabutyl urea 3.15
    diisobutyl methanol 1.21
    2-phenylethanol 2.7
    styrene 0.47
    dioctyl adipate 1.91
    dimethyl sulfate 27.76
    ethyl butyrate 1.06
    methyl lactate 30.45
    butyl lactate 3.55
    diethyl carbonate 0.86
    propanediol butyl ether 16.57
    triethyl orthoformate 1.86
    p-tert-butyltoluene 0.69
    methyl 4-tert-butylbenzoate 6.59
    morpholine 22.44
    tert-butylamine 1.93
    n-dodecanol 1.41
    dimethoxymethane 49.35
    ethylene carbonate 3.2
    cyrene 21.96
    2-ethoxyethyl acetate 2.91
    2-ethylhexyl acetate 0.48
    1,2,4-trichlorobenzene 0.58
    4-methylpyridine 2.68
    dibutyl ether 1.36
    2,6-dimethyl-4-heptanol 1.21
    DEF 21.66
    dimethyl isosorbide 18.82
    tetrachloroethylene 1.39
    eugenol 7.73
    triacetin 5.12
    span 80 12.12
    1,4-butanediol 19.61
    1,1-dichloroethane 0.19
    2-methyl-1-pentanol 1.48
    methyl formate 27.41
    2-methyl-1-butanol 3.55
    n-decane 0.39
    butyronitrile 1.43
    3,7-dimethyl-1-octanol 1.42
    1-chlorooctane 0.59
    1-chlorotetradecane 0.3
    n-nonane 0.36
    undecane 0.28
    tert-butylcyclohexane 0.1
    cyclooctane 0.65
    cyclopentanol 7.84
    tetrahydropyran 5.47
    tert-amyl methyl ether 2.51
    2,5,8-trioxanonane 33.77
    1-hexene 0.31
    2-isopropoxyethanol 13.26
    2,2,2-trifluoroethanol 29.93
    methyl butyrate 1.62

    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