2-(2-Phenylethyl)chromone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    61828-53-3

    Molecular formula
    C17H14O2

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

  • Odor profile

    Floral 54.36%
    Sweet 48.68%
    Fruity 41.04%
    Balsamic 37.32%
    Honey 34.56%
    Spicy 30.16%
    Powdery 29.63%
    Fatty 29.21%
    Waxy 27.67%
    Animal 27.59%

    Scent© AI

  • Properties

    XLogP3-AA
    4.2

    Molecular weight
    250.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    440°C

    Flash point est.
    166.57 ˚C

  • Synonyms

    • 2-(2-Phenylethyl)chromone
    • 61828-53-3
    • Flindersiachromone
    • flidersiachromone
    • 2-Phenethyl-4H-chromen-4-one
    • 2-(2-phenylethyl)chromen-4-one
    • 4H-1-Benzopyran-4-one, 2-(2-phenylethyl)-
    • CHEBI:5092
    • 2-PHENETHYLCHROMONE
    • 2-(2-phenylethyl)-4H-chromen-4-one
    • Chromone, 2-(2-phenylethyl)
    • 2-phenethylchromen-4-one
    • 2-(2-Phenylethyl) chromone
    • CHEMBL481060
    • SCHEMBL5826185
    • DTXSID90210818
    • HY-N8220
    • BDBM50508711
    • 2-phenylethyl-4H-1-benzopyran-4-one
    • AKOS028111422
    • WS-03080
    • 2-(2-phenylethyl)-4H-1-benzopyran-4-one
    • DB-312522
    • CS-0140323
    • C09007
    • E72232
    • Q27106650

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.1
    methanol 10.82
    isopropanol 5.44
    water 0.01
    ethyl acetate 30.65
    n-propanol 10.3
    acetone 48.23
    n-butanol 9.58
    acetonitrile 27.18
    DMF 117.21
    toluene 36.61
    isobutanol 8.03
    1,4-dioxane 123.24
    methyl acetate 47.65
    THF 216.24
    2-butanone 52.77
    n-pentanol 11.96
    sec-butanol 6.79
    n-hexane 0.47
    ethylene glycol 3.62
    NMP 66.94
    cyclohexane 0.73
    DMSO 147.77
    n-butyl acetate 35.35
    n-octanol 4.38
    chloroform 181.39
    n-propyl acetate 39.05
    acetic acid 27.11
    dichloromethane 321.25
    cyclohexanone 87.99
    propylene glycol 4.02
    isopropyl acetate 22.47
    DMAc 134.75
    2-ethoxyethanol 36.03
    isopentanol 11.69
    n-heptane 0.85
    ethyl formate 23.81
    1,2-dichloroethane 264.09
    n-hexanol 11.15
    2-methoxyethanol 48.92
    isobutyl acetate 28.67
    tetrachloromethane 4.22
    n-pentyl acetate 19.11
    transcutol 333.34
    n-heptanol 6.13
    ethylbenzene 18.73
    MIBK 27.79
    2-propoxyethanol 39.46
    tert-butanol 8.35
    MTBE 13.94
    2-butoxyethanol 22.27
    propionic acid 18.1
    o-xylene 14.65
    formic acid 7.83
    diethyl ether 20.55
    m-xylene 15.49
    p-xylene 22.81
    chlorobenzene 56.73
    dimethyl carbonate 25.76
    n-octane 0.47
    formamide 24.82
    cyclopentanone 125.11
    2-pentanone 33.65
    anisole 53.98
    cyclopentyl methyl ether 43.24
    gamma-butyrolactone 129.36
    1-methoxy-2-propanol 28.08
    pyridine 163.55
    3-pentanone 30.41
    furfural 137.4
    n-dodecane 0.65
    diethylene glycol 34.43
    diisopropyl ether 5.47
    tert-amyl alcohol 8.57
    acetylacetone 68.48
    n-hexadecane 0.78
    acetophenone 51.51
    methyl propionate 30.1
    isopentyl acetate 35.56
    trichloroethylene 410.56
    n-nonanol 5.53
    cyclohexanol 11.47
    benzyl alcohol 36.33
    2-ethylhexanol 10.62
    isooctanol 6.71
    dipropyl ether 19.93
    1,2-dichlorobenzene 51.52
    ethyl lactate 16.49
    propylene carbonate 51.95
    n-methylformamide 34.49
    2-pentanol 5.21
    n-pentane 0.25
    1-propoxy-2-propanol 26.64
    1-methoxy-2-propyl acetate 49.56
    2-(2-methoxypropoxy) propanol 40.43
    mesitylene 7.44
    ε-caprolactone 67.93
    p-cymene 10.54
    epichlorohydrin 296.12
    1,1,1-trichloroethane 54.01
    2-aminoethanol 7.75
    morpholine-4-carbaldehyde 106.12
    sulfolane 132.37
    2,2,4-trimethylpentane 0.67
    2-methyltetrahydrofuran 68.3
    n-hexyl acetate 22.08
    isooctane 0.51
    2-(2-butoxyethoxy)ethanol 53.94
    sec-butyl acetate 27.08
    tert-butyl acetate 27.47
    decalin 1.71
    glycerin 10.49
    diglyme 151.86
    acrylic acid 21.9
    isopropyl myristate 11.61
    n-butyric acid 23.3
    acetyl acetate 27.56
    di(2-ethylhexyl) phthalate 14.57
    ethyl propionate 31.55
    nitromethane 91.44
    1,2-diethoxyethane 79.27
    benzonitrile 50.76
    trioctyl phosphate 7.41
    1-bromopropane 43.83
    gamma-valerolactone 161.72
    n-decanol 4.69
    triethyl phosphate 19.65
    4-methyl-2-pentanol 6.24
    propionitrile 26.66
    vinylene carbonate 59.25
    1,1,2-trichlorotrifluoroethane 81.91
    DMS 43.95
    cumene 11.63
    2-octanol 3.71
    2-hexanone 40.77
    octyl acetate 12.88
    limonene 11.63
    1,2-dimethoxyethane 108.39
    ethyl orthosilicate 18.65
    tributyl phosphate 12.34
    diacetone alcohol 31.14
    N,N-dimethylaniline 29.36
    acrylonitrile 47.85
    aniline 38.51
    1,3-propanediol 14.25
    bromobenzene 60.55
    dibromomethane 131.61
    1,1,2,2-tetrachloroethane 224.95
    2-methyl-cyclohexyl acetate 29.99
    tetrabutyl urea 17.15
    diisobutyl methanol 8.88
    2-phenylethanol 30.44
    styrene 27.12
    dioctyl adipate 23.57
    dimethyl sulfate 43.49
    ethyl butyrate 32.54
    methyl lactate 15.7
    butyl lactate 17.75
    diethyl carbonate 24.46
    propanediol butyl ether 16.49
    triethyl orthoformate 25.06
    p-tert-butyltoluene 8.95
    methyl 4-tert-butylbenzoate 34.33
    morpholine 104.99
    tert-butylamine 4.69
    n-dodecanol 4.21
    dimethoxymethane 77.13
    ethylene carbonate 42.72
    cyrene 37.56
    2-ethoxyethyl acetate 46.97
    2-ethylhexyl acetate 27.7
    1,2,4-trichlorobenzene 64.97
    4-methylpyridine 103.02
    dibutyl ether 17.44
    2,6-dimethyl-4-heptanol 8.88
    DEF 44.86
    dimethyl isosorbide 87.1
    tetrachloroethylene 110.04
    eugenol 37.34
    triacetin 39.9
    span 80 24.13
    1,4-butanediol 6.51
    1,1-dichloroethane 78.95
    2-methyl-1-pentanol 15.23
    methyl formate 33.25
    2-methyl-1-butanol 10.68
    n-decane 0.92
    butyronitrile 22.15
    3,7-dimethyl-1-octanol 7.91
    1-chlorooctane 5.69
    1-chlorotetradecane 3.12
    n-nonane 0.71
    undecane 0.76
    tert-butylcyclohexane 1.54
    cyclooctane 0.26
    cyclopentanol 14.21
    tetrahydropyran 64.79
    tert-amyl methyl ether 13.3
    2,5,8-trioxanonane 91.69
    1-hexene 6.13
    2-isopropoxyethanol 26.38
    2,2,2-trifluoroethanol 10.54
    methyl butyrate 43.53

    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 15.0%
Agarwood smoke 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 5.83%
Agarwood smoke 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.28%