2-(4-Methoxyphenethyl)chromone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    92911-82-5

    Molecular formula
    C18H16O3

    SMILES
    COC1=CC=C(C=C1)CCC2=CC(=O)C3=CC=CC=C3O2

  • Odor profile

    Sweet 57.04%
    Floral 55.41%
    Fruity 41.71%
    Balsamic 34.6%
    Powdery 33.5%
    Animal 31.63%
    Spicy 31.36%
    Coumarinic 29.49%
    Phenolic 29.18%
    Vanilla 28.55%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    280.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    491°C

    Flash point est.
    178.83 ˚C

  • Synonyms

    • 2-(4-Methoxyphenethyl)chromone
    • 92911-82-5
    • 2-[2-(4-methoxyphenyl)ethyl]chromen-4-one
    • 2-(2-(4-Methoxyphenyl)ethyl)chromone
    • 4H-1-Benzopyran-4-one, 2-[2-(4-methoxyphenyl)ethyl]-
    • CHEBI:969
    • 9-Hydroxyselina-4,11-dien-14-oic acid
    • 2-[2-(4-Methoxyphenyl)ethyl]chromone
    • 4H-1-Benzopyran-4-one, 2-(2-(4-methoxyphenyl)ethyl)-
    • Chromone, 2-[2-(4-methoxyphenyl)ethyl]
    • 2-(4-Methoxyphenethyl)-4H-chromen-4-one
    • 2-[2-(4-methoxyphenyl)ethyl]-4H-chromen-4-one
    • 2-[2-(4-Methoxyphenyl)ethyl]-4H-1-benzopyran-4-one
    • 2-(2-(4-methoxyphenyl)ethyl)-4H-chromen-4-one
    • C08485
    • SCHEMBL8590733
    • CHEMBL4468180
    • DTXSID80918896
    • ZQBJPQZBIGVILA-UHFFFAOYSA-N
    • 2-(2-(4'- Methoxyphenyl)-ethyl)-chromon
    • Q27105386

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.45
    methanol 7.73
    isopropanol 5.24
    water 0.0
    ethyl acetate 14.91
    n-propanol 8.06
    acetone 17.19
    n-butanol 7.25
    acetonitrile 17.32
    DMF 24.23
    toluene 20.16
    isobutanol 5.76
    1,4-dioxane 84.19
    methyl acetate 22.54
    THF 137.98
    2-butanone 23.88
    n-pentanol 9.28
    sec-butanol 6.16
    n-hexane 0.25
    ethylene glycol 2.66
    NMP 10.12
    cyclohexane 0.6
    DMSO 96.25
    n-butyl acetate 11.65
    n-octanol 2.5
    chloroform 129.11
    n-propyl acetate 16.5
    acetic acid 18.05
    dichloromethane 236.01
    cyclohexanone 34.94
    propylene glycol 3.42
    isopropyl acetate 9.8
    DMAc 43.4
    2-ethoxyethanol 32.99
    isopentanol 7.06
    n-heptane 0.61
    ethyl formate 11.33
    1,2-dichloroethane 130.68
    n-hexanol 5.86
    2-methoxyethanol 35.03
    isobutyl acetate 12.06
    tetrachloromethane 2.88
    n-pentyl acetate 7.43
    transcutol 157.01
    n-heptanol 3.51
    ethylbenzene 8.44
    MIBK 11.36
    2-propoxyethanol 25.06
    tert-butanol 7.06
    MTBE 7.8
    2-butoxyethanol 13.12
    propionic acid 9.54
    o-xylene 7.08
    formic acid 6.06
    diethyl ether 11.67
    m-xylene 6.88
    p-xylene 10.28
    chlorobenzene 24.25
    dimethyl carbonate 10.16
    n-octane 0.36
    formamide 15.72
    cyclopentanone 38.16
    2-pentanone 13.35
    anisole 23.61
    cyclopentyl methyl ether 19.79
    gamma-butyrolactone 44.43
    1-methoxy-2-propanol 20.26
    pyridine 89.06
    3-pentanone 13.02
    furfural 54.34
    n-dodecane 0.44
    diethylene glycol 24.18
    diisopropyl ether 2.94
    tert-amyl alcohol 5.72
    acetylacetone 25.81
    n-hexadecane 0.52
    acetophenone 22.68
    methyl propionate 12.44
    isopentyl acetate 13.1
    trichloroethylene 199.73
    n-nonanol 3.38
    cyclohexanol 7.79
    benzyl alcohol 19.88
    2-ethylhexanol 5.16
    isooctanol 3.77
    dipropyl ether 11.29
    1,2-dichlorobenzene 21.18
    ethyl lactate 7.47
    propylene carbonate 16.6
    n-methylformamide 13.08
    2-pentanol 3.89
    n-pentane 0.16
    1-propoxy-2-propanol 14.2
    1-methoxy-2-propyl acetate 20.76
    2-(2-methoxypropoxy) propanol 22.81
    mesitylene 3.33
    ε-caprolactone 26.46
    p-cymene 4.73
    epichlorohydrin 149.22
    1,1,1-trichloroethane 28.29
    2-aminoethanol 5.8
    morpholine-4-carbaldehyde 40.93
    sulfolane 40.83
    2,2,4-trimethylpentane 0.31
    2-methyltetrahydrofuran 37.48
    n-hexyl acetate 8.39
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 30.99
    sec-butyl acetate 11.45
    tert-butyl acetate 11.33
    decalin 0.82
    glycerin 9.07
    diglyme 84.48
    acrylic acid 10.86
    isopropyl myristate 5.78
    n-butyric acid 13.19
    acetyl acetate 13.62
    di(2-ethylhexyl) phthalate 7.18
    ethyl propionate 13.82
    nitromethane 45.13
    1,2-diethoxyethane 43.49
    benzonitrile 21.76
    trioctyl phosphate 3.61
    1-bromopropane 25.18
    gamma-valerolactone 64.39
    n-decanol 2.96
    triethyl phosphate 9.81
    4-methyl-2-pentanol 3.21
    propionitrile 16.51
    vinylene carbonate 21.33
    1,1,2-trichlorotrifluoroethane 43.53
    DMS 16.09
    cumene 5.22
    2-octanol 2.16
    2-hexanone 17.67
    octyl acetate 6.01
    limonene 5.03
    1,2-dimethoxyethane 73.71
    ethyl orthosilicate 10.01
    tributyl phosphate 5.77
    diacetone alcohol 14.46
    N,N-dimethylaniline 13.34
    acrylonitrile 25.89
    aniline 19.5
    1,3-propanediol 12.78
    bromobenzene 25.97
    dibromomethane 89.18
    1,1,2,2-tetrachloroethane 111.16
    2-methyl-cyclohexyl acetate 14.14
    tetrabutyl urea 8.73
    diisobutyl methanol 4.38
    2-phenylethanol 15.78
    styrene 11.56
    dioctyl adipate 11.65
    dimethyl sulfate 16.25
    ethyl butyrate 14.32
    methyl lactate 7.41
    butyl lactate 7.27
    diethyl carbonate 11.94
    propanediol butyl ether 8.53
    triethyl orthoformate 13.26
    p-tert-butyltoluene 3.92
    methyl 4-tert-butylbenzoate 16.36
    morpholine 74.03
    tert-butylamine 3.34
    n-dodecanol 2.67
    dimethoxymethane 35.54
    ethylene carbonate 16.1
    cyrene 19.45
    2-ethoxyethyl acetate 20.88
    2-ethylhexyl acetate 10.08
    1,2,4-trichlorobenzene 26.63
    4-methylpyridine 40.55
    dibutyl ether 9.64
    2,6-dimethyl-4-heptanol 4.38
    DEF 15.82
    dimethyl isosorbide 47.1
    tetrachloroethylene 56.33
    eugenol 18.32
    triacetin 17.94
    span 80 12.39
    1,4-butanediol 6.12
    1,1-dichloroethane 41.71
    2-methyl-1-pentanol 9.74
    methyl formate 13.27
    2-methyl-1-butanol 6.63
    n-decane 0.67
    butyronitrile 12.87
    3,7-dimethyl-1-octanol 4.32
    1-chlorooctane 3.15
    1-chlorotetradecane 1.79
    n-nonane 0.5
    undecane 0.53
    tert-butylcyclohexane 0.67
    cyclooctane 0.21
    cyclopentanol 8.31
    tetrahydropyran 42.19
    tert-amyl methyl ether 6.61
    2,5,8-trioxanonane 56.83
    1-hexene 2.84
    2-isopropoxyethanol 21.18
    2,2,2-trifluoroethanol 5.96
    methyl butyrate 17.79

    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 0.2%
Agarwood smoke 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 2.33%