7-Acetyl-3,8-dimethoxy-6-(pentofuranosyloxy)naphthalen-1-yl hexopyranoside

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  • Identifiers

    CAS number
    170384-73-3

    Molecular formula
    C25H32O14

    SMILES
    CC(=O)C1=C(C2=C(C=C(C=C2C=C1OC3C(C(C(O3)CO)O)O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC

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  • Odor profile

    Fragrance
    Odorless 65.41%
    Sweet 43.07%
    Vanilla 39.57%
    Milky 25.52%
    Creamy 23.11%
    Powdery 19.84%
    Balsamic 19.67%
    Phenolic 17.98%
    Spicy 17.43%
    Bitter 17.31%

     

    Flavor
    Bitter 71.24%
    Bland 35.56%
    Odorless 34.81%
    Sweet-like 28.59%
    Very mild 21.01%
    Cedarleaf 20.73%
    Parsley 20.41%
    Eugenol 19.85%
    Very slight 19.35%
    Lovage 19.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    6.18 (neutral)

    Molecular weight
    556.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4876°C

    Flash point

    • 291.24 ˚C est.

  • Synonyms

    • DTXSID701118671
    • 7-Acetyl-3,8-dimethoxy-6-(pentofuranosyloxy)naphthalen-1-yl hexopyranoside
    • 1-[3-(D-Apio-I(2)-D-furanosyloxy)-8-(I(2)-D-glucopyranosyloxy)-1,6-dimethoxy-2-naphthalenyl]ethanone
    • 170384-73-3
    • 170384-73-3

  • Applications

    7-Acetyl-3,8-dimethoxy-6-(pentofuranosyloxy)naphthalen-1-yl hexopyranoside (CAS 170384-73-3) has potential real-world applications across several domains, including pharmaceutical research and medicinal chemistry as an intermediate or glycoside scaffold for SAR studies; enzymology/biocatalysis as a substrate for glycosidases or glycosyltransferases in glycoside synthesis and carbohydrate conjugation research; flavor and fragrance industry as a glycoside-based fragrance precursor or profragrance that can release aroma upon hydrolysis; cosmetics and personal care as a candidate fragrance-related or glycoside-based ingredient subject to formulation rules; and analytical/academic research as a reference standard or tool in method development and structural studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.71
    methanol 15.72
    isopropanol 1.05
    water 0.36
    ethyl acetate 0.46
    n-propanol 2.8
    acetone 1.63
    n-butanol 1.51
    acetonitrile 0.65
    DMF 37.74
    toluene 0.07
    isobutanol 0.82
    1,4-dioxane 3.61
    methyl acetate 1.22
    THF 4.84
    2-butanone 1.79
    n-pentanol 0.71
    sec-butanol 1.09
    n-hexane 0.01
    ethylene glycol 12.09
    NMP 45.36
    cyclohexane 0.02
    DMSO 49.45
    n-butyl acetate 0.24
    n-octanol 0.57
    chloroform 0.52
    n-propyl acetate 0.3
    acetic acid 23.14
    dichloromethane 0.75
    cyclohexanone 2.8
    propylene glycol 13.15
    isopropyl acetate 0.21
    DMAc 36.26
    2-ethoxyethanol 9.09
    isopentanol 0.58
    n-heptane 0.02
    ethyl formate 1.5
    1,2-dichloroethane 0.56
    n-hexanol 0.32
    2-methoxyethanol 26.74
    isobutyl acetate 0.13
    tetrachloromethane 0.09
    n-pentyl acetate 0.56
    transcutol 10.88
    n-heptanol 0.63
    ethylbenzene 0.03
    MIBK 0.29
    2-propoxyethanol 5.55
    tert-butanol 0.48
    MTBE 0.18
    2-butoxyethanol 4.77
    propionic acid 4.89
    o-xylene 0.06
    formic acid 48.53
    diethyl ether 0.34
    m-xylene 0.04
    p-xylene 0.04
    chlorobenzene 0.08
    dimethyl carbonate 2.07
    n-octane 0.01
    formamide 34.46
    cyclopentanone 5.13
    2-pentanone 0.8
    anisole 0.19
    cyclopentyl methyl ether 0.59
    gamma-butyrolactone 8.76
    1-methoxy-2-propanol 12.37
    pyridine 1.75
    3-pentanone 0.67
    furfural 8.36
    n-dodecane 0.01
    diethylene glycol 11.96
    diisopropyl ether 0.04
    tert-amyl alcohol 0.59
    acetylacetone 1.31
    n-hexadecane 0.01
    acetophenone 0.45
    methyl propionate 1.45
    isopentyl acetate 0.2
    trichloroethylene 1.12
    n-nonanol 0.57
    cyclohexanol 0.71
    benzyl alcohol 0.69
    2-ethylhexanol 0.15
    isooctanol 0.36
    dipropyl ether 0.23
    1,2-dichlorobenzene 0.09
    ethyl lactate 1.59
    propylene carbonate 2.25
    n-methylformamide 18.76
    2-pentanol 0.4
    n-pentane 0.01
    1-propoxy-2-propanol 2.73
    1-methoxy-2-propyl acetate 1.14
    2-(2-methoxypropoxy) propanol 3.68
    mesitylene 0.02
    ε-caprolactone 3.17
    p-cymene 0.04
    epichlorohydrin 5.49
    1,1,1-trichloroethane 0.12
    2-aminoethanol 12.29
    morpholine-4-carbaldehyde 30.15
    sulfolane 24.43
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.25
    n-hexyl acetate 0.63
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 5.26
    sec-butyl acetate 0.14
    tert-butyl acetate 0.22
    decalin 0.01
    glycerin 39.33
    diglyme 8.95
    acrylic acid 9.47
    isopropyl myristate 0.17
    n-butyric acid 2.85
    acetyl acetate 0.43
    di(2-ethylhexyl) phthalate 0.52
    ethyl propionate 0.31
    nitromethane 19.7
    1,2-diethoxyethane 0.86
    benzonitrile 0.34
    trioctyl phosphate 0.42
    1-bromopropane 0.16
    gamma-valerolactone 20.44
    n-decanol 0.34
    triethyl phosphate 0.37
    4-methyl-2-pentanol 0.14
    propionitrile 0.6
    vinylene carbonate 2.66
    1,1,2-trichlorotrifluoroethane 19.52
    DMS 0.83
    cumene 0.02
    2-octanol 0.29
    2-hexanone 0.44
    octyl acetate 0.38
    limonene 0.07
    1,2-dimethoxyethane 5.56
    ethyl orthosilicate 0.29
    tributyl phosphate 0.36
    diacetone alcohol 1.76
    N,N-dimethylaniline 0.19
    acrylonitrile 1.51
    aniline 0.38
    1,3-propanediol 10.37
    bromobenzene 0.05
    dibromomethane 0.29
    1,1,2,2-tetrachloroethane 1.0
    2-methyl-cyclohexyl acetate 0.29
    tetrabutyl urea 0.78
    diisobutyl methanol 0.08
    2-phenylethanol 0.41
    styrene 0.04
    dioctyl adipate 0.56
    dimethyl sulfate 6.72
    ethyl butyrate 0.29
    methyl lactate 7.21
    butyl lactate 1.73
    diethyl carbonate 0.24
    propanediol butyl ether 6.36
    triethyl orthoformate 0.42
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 1.31
    morpholine 7.77
    tert-butylamine 0.11
    n-dodecanol 0.2
    dimethoxymethane 7.98
    ethylene carbonate 1.74
    cyrene 7.3
    2-ethoxyethyl acetate 1.53
    2-ethylhexyl acetate 0.15
    1,2,4-trichlorobenzene 0.18
    4-methylpyridine 0.71
    dibutyl ether 0.2
    2,6-dimethyl-4-heptanol 0.08
    DEF 2.97
    dimethyl isosorbide 4.55
    tetrachloroethylene 0.73
    eugenol 1.85
    triacetin 1.87
    span 80 3.54
    1,4-butanediol 3.87
    1,1-dichloroethane 0.19
    2-methyl-1-pentanol 0.38
    methyl formate 11.17
    2-methyl-1-butanol 0.78
    n-decane 0.02
    butyronitrile 0.39
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.09
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 1.51
    tetrahydropyran 1.08
    tert-amyl methyl ether 0.26
    2,5,8-trioxanonane 6.05
    1-hexene 0.03
    2-isopropoxyethanol 2.81
    2,2,2-trifluoroethanol 10.85
    methyl butyrate 0.58

    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