7-((2E)-3,7-Dimethylocta-2,6-Dienoxy)-6-Methoxychromen-2-One

Overview IFRA Request a quote

  • Identifiers

    CAS number
    28587-43-1

    Molecular formula
    C20H24O4

    SMILES
    CC(=CCC/C(=C/COC1=C(C=C2C=CC(=O)OC2=C1)OC)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 61.53%
    Fruity 56.7%
    Sweet 47.54%
    Spicy 43.7%
    Woody 35.59%
    Balsamic 34.44%
    Powdery 33.44%
    Rose 30.34%
    Fresh 29.51%
    Dry 28.74%

     

    Flavor
    Bitter 43.26%
    Spice 30.03%
    Herbal 29.78%
    Woody 28.75%
    Spicy 27.44%
    Balsam 25.65%
    Floral 23.49%
    Warm 22.41%
    Flower 21.38%
    Parsley 20.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    9.14 (weak base)

    Molecular weight
    328.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    460°C

    Flash point

    • 183.18 ˚C est.

  • Synonyms

    • 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxychromen-2-one
    • 7-((2E)-3,7-Dimethylocta-2,6-Dienoxy)-6-Methoxychromen-2-One
    • RefChem:1074292
    • 28587-43-1
    • 7-Geranyloxy-6-methoxycoumarin
    • 7-O-Geranylscopoletin
    • 2H-1-Benzopyran-2-one, 7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-6-methoxy-
    • CHEMBL2346913
    • (E)-7-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-6-methoxy-2H-chromen-2-one
    • 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxy-chromen-2-one
    • 6-Methoxyaurapten
    • 7-O-Geranyl-esculetin
    • orb1710526
    • SCHEMBL22922167
    • SCHEMBL31237275
    • HY-N2746
    • BDBM50490819
    • MFCD06796688
    • (E)-7-((3,7-Dimethyl-2,6-octadienyl)oxy)-6-methoxy-2H-1-benzopyran-2-one
    • AKOS022184901
    • 2H-1-Benzopyran-2-one, 7-((3,7-dimethyl-2,6-octadienyl)oxy)-6-methoxy-, (E)-
    • DA-49976
    • MS-24925
    • PD125384
    • CS-0023248
    • G13370
    • 28587-43-1

  • Applications

    7-((2E)-3,7-Dimethylocta-2,6-Dienoxy)-6-Methoxychromen-2-One, CAS number: 28587-43-1, is a chromone derivative commonly considered as an odorant and fragrance ingredient in perfumery and personal care; its lipophilic alkoxy side chain may contribute to odor persistence and enable it to act as a fragrance component or fixative in cosmetic and household formulations. The compound may be evaluated as an intermediate in pharmaceutical and fine-chemical synthesis, and could be considered for flavor or aroma applications in the food industry under appropriate regulatory guidelines. Its use is typically subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 35.87
    methanol 29.23
    isopropanol 33.25
    water 0.01
    ethyl acetate 81.73
    n-propanol 46.51
    acetone 79.93
    n-butanol 38.8
    acetonitrile 46.62
    DMF 71.84
    toluene 74.06
    isobutanol 37.01
    1,4-dioxane 150.71
    methyl acetate 88.89
    THF 305.61
    2-butanone 111.35
    n-pentanol 43.44
    sec-butanol 49.07
    n-hexane 2.05
    ethylene glycol 3.41
    NMP 67.02
    cyclohexane 5.53
    DMSO 150.29
    n-butyl acetate 41.33
    n-octanol 10.21
    chloroform 425.64
    n-propyl acetate 55.27
    acetic acid 81.56
    dichloromethane 479.69
    cyclohexanone 128.13
    propylene glycol 10.5
    isopropyl acetate 42.43
    DMAc 178.98
    2-ethoxyethanol 90.36
    isopentanol 39.79
    n-heptane 1.66
    ethyl formate 32.37
    1,2-dichloroethane 244.05
    n-hexanol 25.79
    2-methoxyethanol 92.08
    isobutyl acetate 38.17
    tetrachloromethane 18.47
    n-pentyl acetate 30.89
    transcutol 313.19
    n-heptanol 13.89
    ethylbenzene 25.24
    MIBK 39.42
    2-propoxyethanol 71.36
    tert-butanol 46.05
    MTBE 51.22
    2-butoxyethanol 43.74
    propionic acid 45.04
    o-xylene 28.4
    formic acid 14.81
    diethyl ether 64.66
    m-xylene 30.16
    p-xylene 35.39
    chlorobenzene 67.39
    dimethyl carbonate 27.0
    n-octane 0.87
    formamide 31.22
    cyclopentanone 121.3
    2-pentanone 64.67
    anisole 56.97
    cyclopentyl methyl ether 80.5
    gamma-butyrolactone 109.29
    1-methoxy-2-propanol 67.01
    pyridine 166.46
    3-pentanone 63.59
    furfural 105.14
    n-dodecane 0.85
    diethylene glycol 37.08
    diisopropyl ether 11.5
    tert-amyl alcohol 51.35
    acetylacetone 79.25
    n-hexadecane 1.0
    acetophenone 58.48
    methyl propionate 62.24
    isopentyl acetate 46.1
    trichloroethylene 405.75
    n-nonanol 12.31
    cyclohexanol 49.37
    benzyl alcohol 53.43
    2-ethylhexanol 17.98
    isooctanol 13.6
    dipropyl ether 23.77
    1,2-dichlorobenzene 56.91
    ethyl lactate 23.06
    propylene carbonate 51.1
    n-methylformamide 28.72
    2-pentanol 27.23
    n-pentane 1.56
    1-propoxy-2-propanol 45.67
    1-methoxy-2-propyl acetate 58.12
    2-(2-methoxypropoxy) propanol 57.85
    mesitylene 13.27
    ε-caprolactone 96.71
    p-cymene 12.16
    epichlorohydrin 259.14
    1,1,1-trichloroethane 115.56
    2-aminoethanol 14.75
    morpholine-4-carbaldehyde 106.47
    sulfolane 119.07
    2,2,4-trimethylpentane 2.01
    2-methyltetrahydrofuran 151.23
    n-hexyl acetate 35.24
    isooctane 1.0
    2-(2-butoxyethoxy)ethanol 74.36
    sec-butyl acetate 40.92
    tert-butyl acetate 45.89
    decalin 3.09
    glycerin 16.25
    diglyme 164.24
    acrylic acid 38.65
    isopropyl myristate 15.35
    n-butyric acid 58.63
    acetyl acetate 50.2
    di(2-ethylhexyl) phthalate 20.3
    ethyl propionate 44.03
    nitromethane 126.37
    1,2-diethoxyethane 87.43
    benzonitrile 48.83
    trioctyl phosphate 10.88
    1-bromopropane 96.93
    gamma-valerolactone 158.45
    n-decanol 9.06
    triethyl phosphate 24.17
    4-methyl-2-pentanol 15.82
    propionitrile 45.22
    vinylene carbonate 50.74
    1,1,2-trichlorotrifluoroethane 112.54
    DMS 45.14
    cumene 15.09
    2-octanol 8.97
    2-hexanone 60.44
    octyl acetate 19.35
    limonene 15.55
    1,2-dimethoxyethane 138.92
    ethyl orthosilicate 25.4
    tributyl phosphate 15.79
    diacetone alcohol 53.33
    N,N-dimethylaniline 36.37
    acrylonitrile 50.86
    aniline 71.93
    1,3-propanediol 33.96
    bromobenzene 71.57
    dibromomethane 238.08
    1,1,2,2-tetrachloroethane 296.58
    2-methyl-cyclohexyl acetate 40.18
    tetrabutyl urea 21.97
    diisobutyl methanol 11.94
    2-phenylethanol 45.14
    styrene 31.4
    dioctyl adipate 30.06
    dimethyl sulfate 40.94
    ethyl butyrate 35.78
    methyl lactate 23.02
    butyl lactate 26.36
    diethyl carbonate 27.25
    propanediol butyl ether 31.44
    triethyl orthoformate 33.26
    p-tert-butyltoluene 10.8
    methyl 4-tert-butylbenzoate 41.68
    morpholine 209.35
    tert-butylamine 21.49
    n-dodecanol 7.0
    dimethoxymethane 82.45
    ethylene carbonate 42.83
    cyrene 50.44
    2-ethoxyethyl acetate 66.11
    2-ethylhexyl acetate 37.38
    1,2,4-trichlorobenzene 75.33
    4-methylpyridine 121.7
    dibutyl ether 21.08
    2,6-dimethyl-4-heptanol 11.94
    DEF 67.08
    dimethyl isosorbide 99.07
    tetrachloroethylene 151.35
    eugenol 44.46
    triacetin 49.88
    span 80 39.15
    1,4-butanediol 14.58
    1,1-dichloroethane 155.72
    2-methyl-1-pentanol 47.19
    methyl formate 23.61
    2-methyl-1-butanol 42.37
    n-decane 1.47
    butyronitrile 41.54
    3,7-dimethyl-1-octanol 14.57
    1-chlorooctane 8.54
    1-chlorotetradecane 3.51
    n-nonane 1.15
    undecane 1.07
    tert-butylcyclohexane 2.67
    cyclooctane 1.33
    cyclopentanol 44.92
    tetrahydropyran 161.49
    tert-amyl methyl ether 40.2
    2,5,8-trioxanonane 111.23
    1-hexene 14.71
    2-isopropoxyethanol 64.1
    2,2,2-trifluoroethanol 20.09
    methyl butyrate 56.5

    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