2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 4-[7-[[6-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]oxy]-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl ester, (2E)-

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  • Identifiers

    CAS number
    14637-28-6

    Molecular formula
    C36H36O17

    SMILES
    CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC(=O)C=CC6=CC(=C(C=C6)O)O)O)O)O)O)O)O)O

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  • Odor profile

    Fragrance
    Odorless 77.87%
    Vanilla 28.35%
    Savory 23.11%
    Milky 21.81%
    Phenolic 21.77%
    Burnt 18.68%
    Bitter 18.67%
    Sweet 18.59%
    Balsamic 18.35%
    Spicy 18.29%

     

    Flavor
    Bitter 84.75%
    Odorless 34.8%
    Bland 34.1%
    Sweet-like 25.14%
    Cedarleaf 20.07%
    Very mild 19.85%
    Parsley 19.3%
    Lovage 19.27%
    Nitrile 18.87%
    Ethyl benzoate 18.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    9.05 (weak base)

    Molecular weight
    740.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5886°C

    Flash point

    • 303.3 ˚C est.

  • Synonyms

    • DTXSID601099432
    • 14637-28-6
    • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 4-[7-[[6-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]oxy]-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl ester, (2E)-
    • 14637-28-6

  • Applications

    This compound, 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 4-[7-[[6-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]oxy]-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl ester, (2E)-; CAS 14637-28-6, is viewed primarily as a reactive acrylate monomer suitable for radical polymerization. Typical real-world applications include UV-curable coatings, adhesives, and printing inks; it can serve as a crosslinking building block in polymer and plastics formulations; it may function as a dye/pigment precursor for specialty inks and coatings; it may act as an antioxidant/stabilizer in polymer formulations; and it can be explored as an intermediate in the synthesis of glycosylated flavonoids for pharmaceutical or nutraceutical development and as a potential cosmetic functional ingredient. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.08
    methanol 3.33
    isopropanol 0.28
    water 0.01
    ethyl acetate 0.04
    n-propanol 0.71
    acetone 0.32
    n-butanol 0.3
    acetonitrile 0.04
    DMF 6.7
    toluene 0.02
    isobutanol 0.17
    1,4-dioxane 1.49
    methyl acetate 0.12
    THF 3.03
    2-butanone 0.33
    n-pentanol 0.18
    sec-butanol 0.27
    n-hexane 0.0
    ethylene glycol 2.86
    NMP 5.27
    cyclohexane 0.0
    DMSO 12.72
    n-butyl acetate 0.02
    n-octanol 0.14
    chloroform 0.03
    n-propyl acetate 0.03
    acetic acid 1.59
    dichloromethane 0.05
    cyclohexanone 0.38
    propylene glycol 4.14
    isopropyl acetate 0.02
    DMAc 5.11
    2-ethoxyethanol 3.2
    isopentanol 0.1
    n-heptane 0.0
    ethyl formate 0.14
    1,2-dichloroethane 0.04
    n-hexanol 0.05
    2-methoxyethanol 10.32
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.1
    transcutol 5.13
    n-heptanol 0.13
    ethylbenzene 0.01
    MIBK 0.04
    2-propoxyethanol 1.31
    tert-butanol 0.09
    MTBE 0.04
    2-butoxyethanol 1.44
    propionic acid 0.43
    o-xylene 0.01
    formic acid 4.58
    diethyl ether 0.07
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.17
    n-octane 0.0
    formamide 3.36
    cyclopentanone 1.02
    2-pentanone 0.12
    anisole 0.04
    cyclopentyl methyl ether 0.15
    gamma-butyrolactone 0.97
    1-methoxy-2-propanol 3.5
    pyridine 0.41
    3-pentanone 0.09
    furfural 1.28
    n-dodecane 0.0
    diethylene glycol 2.53
    diisopropyl ether 0.01
    tert-amyl alcohol 0.11
    acetylacetone 0.18
    n-hexadecane 0.0
    acetophenone 0.06
    methyl propionate 0.12
    isopentyl acetate 0.02
    trichloroethylene 0.07
    n-nonanol 0.14
    cyclohexanol 0.12
    benzyl alcohol 0.15
    2-ethylhexanol 0.02
    isooctanol 0.07
    dipropyl ether 0.05
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.16
    propylene carbonate 0.14
    n-methylformamide 2.68
    2-pentanol 0.08
    n-pentane 0.0
    1-propoxy-2-propanol 0.62
    1-methoxy-2-propyl acetate 0.12
    2-(2-methoxypropoxy) propanol 1.08
    mesitylene 0.0
    ε-caprolactone 0.36
    p-cymene 0.0
    epichlorohydrin 1.04
    1,1,1-trichloroethane 0.01
    2-aminoethanol 3.34
    morpholine-4-carbaldehyde 7.74
    sulfolane 3.36
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.35
    n-hexyl acetate 0.12
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.02
    sec-butyl acetate 0.02
    tert-butyl acetate 0.03
    decalin 0.0
    glycerin 11.55
    diglyme 3.28
    acrylic acid 0.8
    isopropyl myristate 0.03
    n-butyric acid 0.24
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.07
    ethyl propionate 0.03
    nitromethane 1.42
    1,2-diethoxyethane 0.25
    benzonitrile 0.03
    trioctyl phosphate 0.05
    1-bromopropane 0.02
    gamma-valerolactone 5.81
    n-decanol 0.08
    triethyl phosphate 0.02
    4-methyl-2-pentanol 0.02
    propionitrile 0.05
    vinylene carbonate 0.15
    1,1,2-trichlorotrifluoroethane 2.58
    DMS 0.07
    cumene 0.0
    2-octanol 0.07
    2-hexanone 0.08
    octyl acetate 0.07
    limonene 0.01
    1,2-dimethoxyethane 2.07
    ethyl orthosilicate 0.02
    tributyl phosphate 0.04
    diacetone alcohol 0.29
    N,N-dimethylaniline 0.03
    acrylonitrile 0.12
    aniline 0.09
    1,3-propanediol 2.98
    bromobenzene 0.0
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.07
    2-methyl-cyclohexyl acetate 0.02
    tetrabutyl urea 0.12
    diisobutyl methanol 0.01
    2-phenylethanol 0.06
    styrene 0.01
    dioctyl adipate 0.09
    dimethyl sulfate 0.46
    ethyl butyrate 0.03
    methyl lactate 0.76
    butyl lactate 0.29
    diethyl carbonate 0.01
    propanediol butyl ether 2.27
    triethyl orthoformate 0.05
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.2
    morpholine 2.87
    tert-butylamine 0.02
    n-dodecanol 0.04
    dimethoxymethane 1.97
    ethylene carbonate 0.09
    cyrene 1.46
    2-ethoxyethyl acetate 0.3
    2-ethylhexyl acetate 0.01
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.14
    dibutyl ether 0.06
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.33
    dimethyl isosorbide 0.87
    tetrachloroethylene 0.05
    eugenol 0.33
    triacetin 0.24
    span 80 1.02
    1,4-butanediol 0.85
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.07
    methyl formate 1.46
    2-methyl-1-butanol 0.15
    n-decane 0.0
    butyronitrile 0.04
    3,7-dimethyl-1-octanol 0.04
    1-chlorooctane 0.02
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.31
    tetrahydropyran 0.3
    tert-amyl methyl ether 0.05
    2,5,8-trioxanonane 2.23
    1-hexene 0.01
    2-isopropoxyethanol 0.77
    2,2,2-trifluoroethanol 0.42
    methyl butyrate 0.06

    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