Methyl 4-(I(2)-D-glucopyranosyloxy)-3-methoxybenzenepropanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    134860-03-0

    Molecular formula
    C17H24O9

    SMILES
    COC1=C(C=CC(=C1)CCC(=O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 56.46%
    Vanilla 44.26%
    Sweet 37.79%
    Milky 30.04%
    Creamy 27.47%
    Caramellic 24.92%
    Fruity 21.69%
    Dairy 20.89%
    Buttery 19.63%
    Powdery 19.43%

     

    Flavor
    Bitter 67.45%
    Odorless 32.07%
    Bland 30.23%
    Sweet 29.64%
    Sweet-like 28.4%
    Mild 22.11%
    Parsley 21.72%
    Eugenol 21.58%
    Cedarleaf 21.52%
    Naphthalic 21.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.0

    pKa est.
    6.91 (neutral)

    Molecular weight
    372.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1230°C

    Flash point

    • 217.18 ˚C est.

  • Synonyms

    • DTXSID301188795
    • Methyl 4-(I(2)-D-glucopyranosyloxy)-3-methoxybenzenepropanoate
    • Methyl 3-[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]propanoate
    • 134860-03-0
    • 134860-03-0

  • Applications

    Methyl 4-(I(2)-D-glucopyranosyloxy)-3-methoxybenzenepropanoate (CAS 134860-03-0) is primarily used as a synthetic intermediate for glycosylated aromatic esters in pharmaceutical and agrochemical research. It may serve as a fragrance precursor or odorant component in perfumery and in cosmetics/personal care formulations, where the glucopyranosyloxy group can influence solubility and controlled aroma release. The compound may also be evaluated for flavor applications as a glycosylated aroma modifier, subject to regulatory constraints. In materials science, it can function as a building block for glycosylated phenylpropanoate motifs in polymer or coating research. Its use should comply with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.99
    methanol 57.39
    isopropanol 11.36
    water 20.26
    ethyl acetate 7.57
    n-propanol 12.99
    acetone 30.39
    n-butanol 13.4
    acetonitrile 7.76
    DMF 120.06
    toluene 1.84
    isobutanol 4.82
    1,4-dioxane 37.35
    methyl acetate 6.67
    THF 57.88
    2-butanone 9.24
    n-pentanol 4.54
    sec-butanol 7.09
    n-hexane 0.18
    ethylene glycol 80.68
    NMP 72.97
    cyclohexane 1.22
    DMSO 857.94
    n-butyl acetate 1.01
    n-octanol 3.8
    chloroform 2.43
    n-propyl acetate 1.78
    acetic acid 127.45
    dichloromethane 3.25
    cyclohexanone 19.2
    propylene glycol 44.22
    isopropyl acetate 3.47
    DMAc 152.03
    2-ethoxyethanol 61.82
    isopentanol 6.46
    n-heptane 0.47
    ethyl formate 8.32
    1,2-dichloroethane 4.53
    n-hexanol 2.91
    2-methoxyethanol 156.24
    isobutyl acetate 0.83
    tetrachloromethane 0.64
    n-pentyl acetate 2.23
    transcutol 67.8
    n-heptanol 4.08
    ethylbenzene 0.9
    MIBK 4.08
    2-propoxyethanol 21.26
    tert-butanol 12.34
    MTBE 2.8
    2-butoxyethanol 14.84
    propionic acid 16.6
    o-xylene 1.92
    formic acid 264.47
    diethyl ether 5.09
    m-xylene 1.31
    p-xylene 1.01
    chlorobenzene 0.96
    dimethyl carbonate 13.57
    n-octane 0.4
    formamide 274.48
    cyclopentanone 30.89
    2-pentanone 9.33
    anisole 2.98
    cyclopentyl methyl ether 10.73
    gamma-butyrolactone 38.36
    1-methoxy-2-propanol 67.85
    pyridine 11.24
    3-pentanone 6.41
    furfural 29.28
    n-dodecane 0.31
    diethylene glycol 60.29
    diisopropyl ether 1.1
    tert-amyl alcohol 7.85
    acetylacetone 23.49
    n-hexadecane 0.34
    acetophenone 5.19
    methyl propionate 10.46
    isopentyl acetate 1.21
    trichloroethylene 6.11
    n-nonanol 4.02
    cyclohexanol 12.81
    benzyl alcohol 7.62
    2-ethylhexanol 1.56
    isooctanol 2.88
    dipropyl ether 2.86
    1,2-dichlorobenzene 1.08
    ethyl lactate 6.92
    propylene carbonate 9.66
    n-methylformamide 59.03
    2-pentanol 5.82
    n-pentane 0.29
    1-propoxy-2-propanol 10.77
    1-methoxy-2-propyl acetate 5.43
    2-(2-methoxypropoxy) propanol 16.75
    mesitylene 0.88
    ε-caprolactone 14.47
    p-cymene 0.78
    epichlorohydrin 24.47
    1,1,1-trichloroethane 1.42
    2-aminoethanol 61.02
    morpholine-4-carbaldehyde 79.52
    sulfolane 97.16
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 13.13
    n-hexyl acetate 3.2
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 24.46
    sec-butyl acetate 1.16
    tert-butyl acetate 3.89
    decalin 0.28
    glycerin 131.25
    diglyme 43.42
    acrylic acid 28.67
    isopropyl myristate 1.72
    n-butyric acid 17.66
    acetyl acetate 7.27
    di(2-ethylhexyl) phthalate 3.06
    ethyl propionate 2.51
    nitromethane 128.36
    1,2-diethoxyethane 7.46
    benzonitrile 2.83
    trioctyl phosphate 2.42
    1-bromopropane 1.45
    gamma-valerolactone 61.94
    n-decanol 3.1
    triethyl phosphate 2.51
    4-methyl-2-pentanol 2.31
    propionitrile 3.57
    vinylene carbonate 9.15
    1,1,2-trichlorotrifluoroethane 50.35
    DMS 4.97
    cumene 0.64
    2-octanol 2.4
    2-hexanone 2.69
    octyl acetate 2.71
    limonene 1.37
    1,2-dimethoxyethane 39.48
    ethyl orthosilicate 2.37
    tributyl phosphate 2.3
    diacetone alcohol 17.79
    N,N-dimethylaniline 3.27
    acrylonitrile 6.85
    aniline 6.02
    1,3-propanediol 81.61
    bromobenzene 0.72
    dibromomethane 1.82
    1,1,2,2-tetrachloroethane 6.47
    2-methyl-cyclohexyl acetate 2.44
    tetrabutyl urea 5.04
    diisobutyl methanol 1.38
    2-phenylethanol 4.14
    styrene 0.9
    dioctyl adipate 3.9
    dimethyl sulfate 34.93
    ethyl butyrate 1.78
    methyl lactate 26.78
    butyl lactate 4.69
    diethyl carbonate 1.72
    propanediol butyl ether 17.32
    triethyl orthoformate 2.63
    p-tert-butyltoluene 0.79
    methyl 4-tert-butylbenzoate 8.46
    morpholine 45.92
    tert-butylamine 2.92
    n-dodecanol 2.39
    dimethoxymethane 57.37
    ethylene carbonate 7.85
    cyrene 23.96
    2-ethoxyethyl acetate 5.6
    2-ethylhexyl acetate 0.89
    1,2,4-trichlorobenzene 1.81
    4-methylpyridine 5.73
    dibutyl ether 2.39
    2,6-dimethyl-4-heptanol 1.38
    DEF 21.6
    dimethyl isosorbide 19.67
    tetrachloroethylene 5.13
    eugenol 9.52
    triacetin 8.11
    span 80 12.52
    1,4-butanediol 26.2
    1,1-dichloroethane 1.55
    2-methyl-1-pentanol 3.31
    methyl formate 42.92
    2-methyl-1-butanol 5.59
    n-decane 0.54
    butyronitrile 3.71
    3,7-dimethyl-1-octanol 2.39
    1-chlorooctane 1.22
    1-chlorotetradecane 0.62
    n-nonane 0.47
    undecane 0.4
    tert-butylcyclohexane 0.15
    cyclooctane 0.52
    cyclopentanol 15.06
    tetrahydropyran 14.02
    tert-amyl methyl ether 3.47
    2,5,8-trioxanonane 38.33
    1-hexene 0.51
    2-isopropoxyethanol 20.08
    2,2,2-trifluoroethanol 56.07
    methyl butyrate 3.33

    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