4H-1-Benzopyran-4-one, 6-methoxy-2-(2-(4-methoxyphenyl)ethyl)-

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  • Identifiers

    Molecular formula
    C19H18O4

    SMILES
    COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=CC(=C3)OC

  • Odor profile

    Sweet 64.42%
    Floral 53.06%
    Fruity 48.46%
    Vanilla 38.12%
    Powdery 37.01%
    Spicy 36.96%
    Balsamic 33.25%
    Phenolic 30.12%
    Animal 28.16%
    Aromatic 28.07%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.12 (neutral)

    Molecular weight
    310.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    525°C

    Flash point est.
    189.61 ˚C

  • Synonyms

    • 4H-1-Benzopyran-4-one, 6-methoxy-2-(2-(4-methoxyphenyl)ethyl)-
    • 111286-05-6
    • DTXSID90149578
    • 4H-1-Benzopyran-4-one, 6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-
    • CHEMBL5173435
    • DTXCID0072069
    • RQDQHEBGEUXELB-UHFFFAOYSA-N
    • Ethyl 3-[([(diethoxymethyl)(ethoxy)phosphoryl]methyl)(ethoxycarbonyl)amino]propanoate
    • 6-Methoxy-2-(4-methoxyphenethyl)-4H-chromen-4-one

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.56
    methanol 3.35
    isopropanol 3.12
    water 0.0
    ethyl acetate 11.66
    n-propanol 4.47
    acetone 10.61
    n-butanol 3.34
    acetonitrile 13.07
    DMF 17.63
    toluene 6.86
    isobutanol 3.02
    1,4-dioxane 52.97
    methyl acetate 19.55
    THF 98.36
    2-butanone 16.54
    n-pentanol 3.78
    sec-butanol 3.67
    n-hexane 0.16
    ethylene glycol 1.91
    NMP 8.07
    cyclohexane 0.39
    DMSO 79.17
    n-butyl acetate 5.47
    n-octanol 1.21
    chloroform 98.73
    n-propyl acetate 8.31
    acetic acid 13.97
    dichloromethane 170.82
    cyclohexanone 18.26
    propylene glycol 1.82
    isopropyl acetate 6.67
    DMAc 41.95
    2-ethoxyethanol 19.44
    isopentanol 3.38
    n-heptane 0.31
    ethyl formate 6.71
    1,2-dichloroethane 78.58
    n-hexanol 2.26
    2-methoxyethanol 21.0
    isobutyl acetate 5.25
    tetrachloromethane 2.65
    n-pentyl acetate 3.84
    transcutol 65.37
    n-heptanol 1.6
    ethylbenzene 3.9
    MIBK 5.57
    2-propoxyethanol 13.08
    tert-butanol 4.31
    MTBE 5.25
    2-butoxyethanol 6.84
    propionic acid 7.11
    o-xylene 3.62
    formic acid 5.22
    diethyl ether 7.41
    m-xylene 2.71
    p-xylene 5.24
    chlorobenzene 10.77
    dimethyl carbonate 8.63
    n-octane 0.18
    formamide 14.61
    cyclopentanone 23.68
    2-pentanone 7.1
    anisole 13.13
    cyclopentyl methyl ether 11.62
    gamma-butyrolactone 33.69
    1-methoxy-2-propanol 11.06
    pyridine 49.53
    3-pentanone 9.1
    furfural 34.15
    n-dodecane 0.2
    diethylene glycol 13.09
    diisopropyl ether 1.84
    tert-amyl alcohol 3.68
    acetylacetone 15.86
    n-hexadecane 0.24
    acetophenone 12.5
    methyl propionate 10.31
    isopentyl acetate 6.46
    trichloroethylene 128.59
    n-nonanol 1.73
    cyclohexanol 4.38
    benzyl alcohol 9.66
    2-ethylhexanol 2.14
    isooctanol 1.67
    dipropyl ether 6.31
    1,2-dichlorobenzene 11.12
    ethyl lactate 4.17
    propylene carbonate 10.36
    n-methylformamide 8.88
    2-pentanol 2.06
    n-pentane 0.1
    1-propoxy-2-propanol 7.36
    1-methoxy-2-propyl acetate 11.93
    2-(2-methoxypropoxy) propanol 12.55
    mesitylene 1.5
    ε-caprolactone 16.07
    p-cymene 2.36
    epichlorohydrin 100.45
    1,1,1-trichloroethane 21.21
    2-aminoethanol 3.36
    morpholine-4-carbaldehyde 32.55
    sulfolane 30.04
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 23.92
    n-hexyl acetate 4.02
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 15.23
    sec-butyl acetate 6.3
    tert-butyl acetate 7.45
    decalin 0.48
    glycerin 5.57
    diglyme 45.39
    acrylic acid 8.44
    isopropyl myristate 3.0
    n-butyric acid 7.4
    acetyl acetate 11.55
    di(2-ethylhexyl) phthalate 3.59
    ethyl propionate 8.69
    nitromethane 44.7
    1,2-diethoxyethane 20.5
    benzonitrile 10.17
    trioctyl phosphate 1.76
    1-bromopropane 14.17
    gamma-valerolactone 43.1
    n-decanol 1.5
    triethyl phosphate 6.59
    4-methyl-2-pentanol 1.54
    propionitrile 10.66
    vinylene carbonate 12.43
    1,1,2-trichlorotrifluoroethane 34.73
    DMS 10.06
    cumene 2.51
    2-octanol 1.03
    2-hexanone 7.93
    octyl acetate 3.1
    limonene 2.31
    1,2-dimethoxyethane 44.84
    ethyl orthosilicate 6.64
    tributyl phosphate 2.92
    diacetone alcohol 8.36
    N,N-dimethylaniline 7.96
    acrylonitrile 16.61
    aniline 9.76
    1,3-propanediol 6.72
    bromobenzene 12.09
    dibromomethane 57.05
    1,1,2,2-tetrachloroethane 76.33
    2-methyl-cyclohexyl acetate 7.96
    tetrabutyl urea 4.44
    diisobutyl methanol 2.1
    2-phenylethanol 7.05
    styrene 5.21
    dioctyl adipate 6.24
    dimethyl sulfate 14.67
    ethyl butyrate 7.74
    methyl lactate 4.83
    butyl lactate 3.49
    diethyl carbonate 7.25
    propanediol butyl ether 3.79
    triethyl orthoformate 7.99
    p-tert-butyltoluene 1.95
    methyl 4-tert-butylbenzoate 9.31
    morpholine 47.36
    tert-butylamine 1.86
    n-dodecanol 1.29
    dimethoxymethane 22.86
    ethylene carbonate 10.05
    cyrene 11.37
    2-ethoxyethyl acetate 11.35
    2-ethylhexyl acetate 5.03
    1,2,4-trichlorobenzene 16.91
    4-methylpyridine 19.4
    dibutyl ether 4.98
    2,6-dimethyl-4-heptanol 2.1
    DEF 11.15
    dimethyl isosorbide 28.42
    tetrachloroethylene 38.61
    eugenol 9.62
    triacetin 10.16
    span 80 6.23
    1,4-butanediol 3.11
    1,1-dichloroethane 25.29
    2-methyl-1-pentanol 4.25
    methyl formate 9.17
    2-methyl-1-butanol 3.32
    n-decane 0.31
    butyronitrile 6.31
    3,7-dimethyl-1-octanol 2.06
    1-chlorooctane 1.47
    1-chlorotetradecane 0.85
    n-nonane 0.23
    undecane 0.25
    tert-butylcyclohexane 0.33
    cyclooctane 0.14
    cyclopentanol 5.15
    tetrahydropyran 25.7
    tert-amyl methyl ether 4.49
    2,5,8-trioxanonane 32.91
    1-hexene 1.35
    2-isopropoxyethanol 11.74
    2,2,2-trifluoroethanol 5.68
    methyl butyrate 9.63

    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

Botanical

Name CAS Botanical Proportion
Agarwood 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 2.5%