Seselin

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  • Identifiers

    CAS number
    523-59-1

    Molecular formula
    C14H12O3

    SMILES
    CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C=C3)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 59.91%
    Coumarinic 49.07%
    Tobacco 37.25%
    Powdery 37.04%
    Hay 35.61%
    Coconut 35.15%
    Herbal 34.6%
    Phenolic 34.37%
    Floral 34.1%
    Nutty 28.5%

     

    Flavor
    Bitter 85.88%
    Tonka 23.29%
    Sweet 20.26%
    Ripe apricot 19.16%
    Lovage 19.06%
    Red fruit 19.05%
    Naphthalic 18.91%
    Parsley 18.89%
    Cedarleaf 18.75%
    Very strong 18.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.25 (neutral)

    Molecular weight
    228.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    395°C

    Melting point expt.

    • 119 - 120 °C

    Flash point

    • 182.49 ˚C est.

  • Synonyms

    • Seselin
    • 523-59-1
    • Amyrolin
    • 8,8-Dimethyl-2H,8H-pyrano[2,3-f]chromen-2-one
    • 8,8-dimethylpyrano[2,3-f]chromen-2-one
    • 8,8-Dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-2-one
    • 8,8-Dimethyl-2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one
    • 5634E8957P
    • 2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 8,8-dimethyl-
    • 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 8,8-dimethyl-
    • DTXSID60200322
    • 8,8-dimethylpyrano(2,3-f)chromen-2-one
    • 8,8-Dimethyl-2H,8H-pyrano(2,3-F)chromen-2-one
    • RefChem:182576
    • DTXCID60122813
    • Pyranocoumarin deriv.
    • Seseline
    • CHEMBL71358
    • 3',4'-Di-O-(-)-Camphanoyl-(+)-cis-khellactone
    • Sesalin
    • 2H-1-Benzopyran-6-acrylic acid, 5-hydroxy-2,2-dimethyl-, .delta.-lactone
    • UNII-5634E8957P
    • Oprea1_187929
    • orb1297052
    • SCHEMBL8993385
    • SCHEMBL29402981
    • CHEBI:69040
    • QUVCQYQEIOLHFZ-UHFFFAOYSA-N
    • HMS1648A10
    • BDBM50361397
    • MFCD01018179
    • AKOS000276897
    • EBC-519720
    • HY-W505771
    • DA-57810
    • FD159177
    • CS-0591374
    • 2',2'-dimethyl-3-pyreno[6'5:7,8]coumarin
    • C09312
    • G77042
    • 8,8-DIMETHYLPYRANO[2,3-H]CHROMEN-2-ONE
    • F986287
    • 8,8-Dimethyl-2H,8H-pyrano[2,3-f]chromen-2-one #
    • Q27104968
    • 8,8-Dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 9CI
    • 5-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-acrylic Acid delta-Lactone; 8,8-Dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one; Amyrolin; Seseline
    • 523-59-1

  • Applications

    Seselin (CAS 523-59-1) is a furanocoumarin described primarily in the context of fragrance research and plant chemistry. In industry, it may be used as an odorant or fragrance ingredient in perfumery and personal care formulations, within safety and regulatory limits. It can serve as a chemical intermediate in the synthesis of related furanocoumarin derivatives for research and specialty chemical production. The compound is also used as a reference material in analytical workflows (LC/GC) for method development and chemotaxonomic studies of plant extracts. Additionally, Seselin is explored in photochemistry and spectroscopy studies due to its photoactive furanocoumarin core, supporting academic and industrial investigations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.51
    methanol 19.96
    isopropanol 14.18
    water 0.06
    ethyl acetate 49.58
    n-propanol 18.1
    acetone 70.87
    n-butanol 17.95
    acetonitrile 37.39
    DMF 290.32
    toluene 21.17
    isobutanol 17.08
    1,4-dioxane 109.84
    methyl acetate 81.51
    THF 192.73
    2-butanone 69.66
    n-pentanol 15.61
    sec-butanol 14.4
    n-hexane 0.87
    ethylene glycol 14.93
    NMP 226.66
    cyclohexane 1.28
    DMSO 170.78
    n-butyl acetate 51.05
    n-octanol 14.34
    chloroform 112.42
    n-propyl acetate 44.4
    acetic acid 40.88
    dichloromethane 115.36
    cyclohexanone 92.58
    propylene glycol 16.46
    isopropyl acetate 39.98
    DMAc 318.41
    2-ethoxyethanol 59.14
    isopentanol 24.34
    n-heptane 1.21
    ethyl formate 33.9
    1,2-dichloroethane 87.07
    n-hexanol 20.4
    2-methoxyethanol 99.76
    isobutyl acetate 41.65
    tetrachloromethane 5.68
    n-pentyl acetate 34.19
    transcutol 286.93
    n-heptanol 14.21
    ethylbenzene 14.69
    MIBK 44.03
    2-propoxyethanol 85.14
    tert-butanol 26.48
    MTBE 36.42
    2-butoxyethanol 42.83
    propionic acid 34.8
    o-xylene 17.22
    formic acid 19.97
    diethyl ether 31.22
    m-xylene 19.3
    p-xylene 22.26
    chlorobenzene 37.7
    dimethyl carbonate 59.54
    n-octane 0.98
    formamide 38.22
    cyclopentanone 138.28
    2-pentanone 50.05
    anisole 51.85
    cyclopentyl methyl ether 66.32
    gamma-butyrolactone 159.36
    1-methoxy-2-propanol 76.85
    pyridine 75.11
    3-pentanone 47.74
    furfural 134.27
    n-dodecane 1.7
    diethylene glycol 84.65
    diisopropyl ether 12.78
    tert-amyl alcohol 22.68
    acetylacetone 84.75
    n-hexadecane 2.02
    acetophenone 56.92
    methyl propionate 65.44
    isopentyl acetate 55.26
    trichloroethylene 175.76
    n-nonanol 15.5
    cyclohexanol 22.96
    benzyl alcohol 40.33
    2-ethylhexanol 20.25
    isooctanol 14.65
    dipropyl ether 23.5
    1,2-dichlorobenzene 42.69
    ethyl lactate 35.92
    propylene carbonate 84.31
    n-methylformamide 71.1
    2-pentanol 12.6
    n-pentane 0.7
    1-propoxy-2-propanol 55.27
    1-methoxy-2-propyl acetate 84.34
    2-(2-methoxypropoxy) propanol 74.55
    mesitylene 12.84
    ε-caprolactone 92.24
    p-cymene 14.62
    epichlorohydrin 205.13
    1,1,1-trichloroethane 46.91
    2-aminoethanol 20.19
    morpholine-4-carbaldehyde 226.51
    sulfolane 189.15
    2,2,4-trimethylpentane 1.65
    2-methyltetrahydrofuran 94.27
    n-hexyl acetate 48.89
    isooctane 1.45
    2-(2-butoxyethoxy)ethanol 80.18
    sec-butyl acetate 37.26
    tert-butyl acetate 51.6
    decalin 2.63
    glycerin 38.5
    diglyme 151.69
    acrylic acid 40.43
    isopropyl myristate 24.4
    n-butyric acid 38.18
    acetyl acetate 42.06
    di(2-ethylhexyl) phthalate 31.11
    ethyl propionate 42.82
    nitromethane 112.86
    1,2-diethoxyethane 76.52
    benzonitrile 47.75
    trioctyl phosphate 21.01
    1-bromopropane 27.88
    gamma-valerolactone 195.72
    n-decanol 12.93
    triethyl phosphate 31.88
    4-methyl-2-pentanol 14.18
    propionitrile 30.32
    vinylene carbonate 83.51
    1,1,2-trichlorotrifluoroethane 114.3
    DMS 83.0
    cumene 13.29
    2-octanol 10.9
    2-hexanone 44.07
    octyl acetate 30.12
    limonene 18.35
    1,2-dimethoxyethane 113.53
    ethyl orthosilicate 29.74
    tributyl phosphate 28.11
    diacetone alcohol 63.18
    N,N-dimethylaniline 39.48
    acrylonitrile 48.28
    aniline 35.15
    1,3-propanediol 32.72
    bromobenzene 37.44
    dibromomethane 56.7
    1,1,2,2-tetrachloroethane 129.4
    2-methyl-cyclohexyl acetate 41.93
    tetrabutyl urea 37.19
    diisobutyl methanol 15.64
    2-phenylethanol 43.22
    styrene 17.81
    dioctyl adipate 39.33
    dimethyl sulfate 116.98
    ethyl butyrate 39.26
    methyl lactate 51.25
    butyl lactate 33.93
    diethyl carbonate 34.56
    propanediol butyl ether 40.88
    triethyl orthoformate 36.78
    p-tert-butyltoluene 14.74
    methyl 4-tert-butylbenzoate 53.86
    morpholine 124.02
    tert-butylamine 12.6
    n-dodecanol 11.09
    dimethoxymethane 142.24
    ethylene carbonate 67.31
    cyrene 72.23
    2-ethoxyethyl acetate 69.58
    2-ethylhexyl acetate 45.89
    1,2,4-trichlorobenzene 58.21
    4-methylpyridine 85.74
    dibutyl ether 23.91
    2,6-dimethyl-4-heptanol 15.64
    DEF 78.78
    dimethyl isosorbide 119.39
    tetrachloroethylene 61.79
    eugenol 54.07
    triacetin 68.92
    span 80 45.68
    1,4-butanediol 13.55
    1,1-dichloroethane 50.88
    2-methyl-1-pentanol 22.32
    methyl formate 67.98
    2-methyl-1-butanol 21.36
    n-decane 2.18
    butyronitrile 27.73
    3,7-dimethyl-1-octanol 20.23
    1-chlorooctane 11.01
    1-chlorotetradecane 6.55
    n-nonane 1.73
    undecane 1.92
    tert-butylcyclohexane 2.81
    cyclooctane 0.68
    cyclopentanol 29.57
    tetrahydropyran 62.39
    tert-amyl methyl ether 32.18
    2,5,8-trioxanonane 116.8
    1-hexene 5.08
    2-isopropoxyethanol 46.52
    2,2,2-trifluoroethanol 25.38
    methyl butyrate 51.48

    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