Khellin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    82-02-0

    Molecular formula
    C14H12O5

    SMILES
    CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 43.41%
    Sweet 41.63%
    Burnt 38.1%
    Phenolic 35.7%
    Caramellic 33.29%
    Roasted 29.78%
    Vanilla 29.53%
    Spicy 28.77%
    Earthy 26.83%
    Powdery 26.44%

     

    Flavor
    Bitter 81.68%
    Parsley 21.72%
    Eugenol 20.93%
    Cedarleaf 20.19%
    Ripe apricot 19.51%
    Soybean 19.43%
    Carrot 19.41%
    Lovage 19.36%
    Very strong 19.22%
    Red fruit 19.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.16 (neutral)

    Molecular weight
    260.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    519°C

    Flash point

    • 199.96 ˚C est.

  • Synonyms

    • khellin
    • 82-02-0
    • Visammin
    • Viscardan
    • Khelloyd
    • Ammivin
    • Kellina
    • Khelline
    • Khellinum
    • Quelina
    • 4,9-Dimethoxy-7-methyl-5H-furo(3,2-g)(1)benzopyran-5-one
    • 4,9-Dimethoxy-7-methyl-5-oxofuro(3,2-g)-1,2-chromene
    • kelina
    • 5H-Furo[3,2-g][1]benzopyran-5-one, 4,9-dimethoxy-7-methyl-
    • DTXSID9045267
    • 4,9-Dimethoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one
    • NSC-25509
    • NSC-37744
    • 5G117T0TJZ
    • CHEBI:6133
    • 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one
    • 5H-Furo(3,2-g)(1)benzopyran-5-one, 4,9-dimethoxy-7-methyl-
    • DTXCID7025267
    • 4,9-dimethoxy-7-methylfuro(3,2-g)chromen-5-one
    • RefChem:40691
    • 201-392-8
    • Methafrone
    • Amicardine
    • Amikellin
    • Ammipuran
    • Ammivisnagen
    • Benecardin
    • Corafurone
    • Gynokhellan
    • Medekellin
    • Kelamin
    • Kelourin
    • Rykellin
    • Interkhellin
    • Ammispasmin
    • Interkellin
    • Kalangin
    • Kelicorin
    • Kelincor
    • Khelangin
    • Khellamine
    • Khellanals
    • Khellinorm
    • Visammimix
    • Visnagalin
    • Norkel
    • Eskel
    • Kellosal
    • Khelfren
    • Khelisem
    • Lynamine
    • Mefurina
    • Simeskellina
    • Vasokellina
    • Visnagen
    • Amiptan
    • Chellin
    • Kelicor
    • Kellin
    • Cardio-khellin
    • Ammi-khellin
    • Bi-Kellina
    • Benekardin
    • 4,9-Dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one
    • Khelline I
    • Chellina
    • Ammicardine
    • MFCD00005007
    • 5,8-Dimethoxy-2-methyl-6,7-furanochromone
    • Viscardin
    • 5,8-Dimethoxy-2-methyl-4',5'-furo-6,7-chromone
    • IT-033
    • 5,8-Dimethoxy-2-methyl-4',5'-furano-6,7-chromone
    • 4,9-Dimethoxy-7-methyl-5-oxo-1,8-dioxabenz-(f)indene
    • 4,9-Dimethoxy-7-methyl-5-oxofuro(3,2-g)(1)benzopyran
    • NSC37744
    • Chorafurone
    • Vismagen
    • Khell
    • MLS000028448
    • 4,9-Dimethoxy-7-methyl-5H-furo[3,2-g]-[1]benzopyran-5-one
    • NSC8519
    • 5,7-furanochromone
    • CAS-82-02-0
    • NCGC00016327-01
    • SMR000058278
    • 4,2-g][1]benzopyran
    • 4,8-dioxabenz-[f]indene
    • 4,2-g]-1,2-chromene
    • 5,5'-furo-6,7-chromone
    • 5,5'-furano-6,7-chromone
    • Chellina [Italian]
    • 4,9-Dimethoxy-7-methyl-furo[3,2-g]chromen-5-one
    • 5,9-dimethoxy-2-methylfurano[3,2-g]chromen-4-one
    • 4,2-g][1]benzopyran-5-one
    • Khellin [INN:DCF]
    • Khelline [INN-French]
    • Khellinum [INN-Latin]
    • Quelina [INN-Spanish]
    • 5H-Furo[3, 4,9-dimethoxy-7-methyl-
    • WLN: T C566 DO JV MOJ BO1 HO1 L1
    • SR-01000000072
    • EINECS 201-392-8
    • NSC 25509
    • NSC 37744
    • BRN 0263185
    • UNII-5G117T0TJZ
    • Gynokhellin
    • Intercellin
    • Hkelfren
    • AI3-52114
    • Visammin;
    • Kellin;
    • Prestwick_287
    • Spectrum_000079
    • Khellin, for microscopy
    • Opera_ID_372
    • KHELLIN [INN]
    • KHELLIN [MI]
    • KHELLIN [MART.]
    • Prestwick0_000091
    • Prestwick1_000091
    • 82-02-0

  • Applications

    Khellin (CAS 82-02-0) is a furochromone primarily used as a chemical building block in the synthesis of chromone and furochromone derivatives. It also serves as an analytical reference material for plant metabolite profiling and method development. Additionally, khellin is studied in photochemical and materials science contexts due to its photoactive chromone core, and natural-product sourcing is considered for research and development in natural product chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.79
    methanol 11.65
    isopropanol 5.15
    water 0.15
    ethyl acetate 15.76
    n-propanol 7.09
    acetone 20.67
    n-butanol 7.32
    acetonitrile 12.44
    DMF 57.93
    toluene 7.94
    isobutanol 6.52
    1,4-dioxane 33.16
    methyl acetate 22.36
    THF 53.02
    2-butanone 15.84
    n-pentanol 6.74
    sec-butanol 4.73
    n-hexane 0.44
    ethylene glycol 9.85
    NMP 103.88
    cyclohexane 1.35
    DMSO 39.7
    n-butyl acetate 15.54
    n-octanol 6.41
    chloroform 45.0
    n-propyl acetate 16.3
    acetic acid 22.55
    dichloromethane 52.95
    cyclohexanone 43.75
    propylene glycol 4.43
    isopropyl acetate 11.25
    DMAc 72.26
    2-ethoxyethanol 19.16
    isopentanol 7.75
    n-heptane 0.7
    ethyl formate 19.64
    1,2-dichloroethane 35.84
    n-hexanol 8.99
    2-methoxyethanol 34.67
    isobutyl acetate 14.42
    tetrachloromethane 7.47
    n-pentyl acetate 13.43
    transcutol 18.93
    n-heptanol 7.04
    ethylbenzene 6.3
    MIBK 11.06
    2-propoxyethanol 27.3
    tert-butanol 6.75
    MTBE 4.82
    2-butoxyethanol 18.42
    propionic acid 14.4
    o-xylene 7.78
    formic acid 18.51
    diethyl ether 5.32
    m-xylene 6.74
    p-xylene 10.68
    chlorobenzene 21.13
    dimethyl carbonate 23.8
    n-octane 0.5
    formamide 26.28
    cyclopentanone 57.06
    2-pentanone 13.28
    anisole 14.92
    cyclopentyl methyl ether 19.87
    gamma-butyrolactone 75.8
    1-methoxy-2-propanol 17.99
    pyridine 37.72
    3-pentanone 13.39
    furfural 82.79
    n-dodecane 0.76
    diethylene glycol 34.96
    diisopropyl ether 2.29
    tert-amyl alcohol 6.15
    acetylacetone 24.05
    n-hexadecane 0.89
    acetophenone 24.61
    methyl propionate 21.19
    isopentyl acetate 17.2
    trichloroethylene 78.31
    n-nonanol 6.7
    cyclohexanol 13.08
    benzyl alcohol 19.8
    2-ethylhexanol 8.28
    isooctanol 6.72
    dipropyl ether 5.93
    1,2-dichlorobenzene 25.5
    ethyl lactate 14.71
    propylene carbonate 46.13
    n-methylformamide 27.39
    2-pentanol 4.1
    n-pentane 0.36
    1-propoxy-2-propanol 14.37
    1-methoxy-2-propyl acetate 21.39
    2-(2-methoxypropoxy) propanol 19.07
    mesitylene 4.6
    ε-caprolactone 41.45
    p-cymene 7.35
    epichlorohydrin 68.16
    1,1,1-trichloroethane 25.05
    2-aminoethanol 9.42
    morpholine-4-carbaldehyde 74.98
    sulfolane 85.63
    2,2,4-trimethylpentane 0.61
    2-methyltetrahydrofuran 27.55
    n-hexyl acetate 14.67
    isooctane 0.37
    2-(2-butoxyethoxy)ethanol 18.13
    sec-butyl acetate 11.17
    tert-butyl acetate 12.2
    decalin 1.64
    glycerin 14.84
    diglyme 35.99
    acrylic acid 21.79
    isopropyl myristate 7.66
    n-butyric acid 16.91
    acetyl acetate 16.79
    di(2-ethylhexyl) phthalate 14.15
    ethyl propionate 14.74
    nitromethane 47.4
    1,2-diethoxyethane 9.94
    benzonitrile 26.54
    trioctyl phosphate 9.64
    1-bromopropane 9.76
    gamma-valerolactone 74.11
    n-decanol 5.49
    triethyl phosphate 15.11
    4-methyl-2-pentanol 4.0
    propionitrile 11.59
    vinylene carbonate 51.14
    1,1,2-trichlorotrifluoroethane 67.89
    DMS 25.61
    cumene 6.09
    2-octanol 4.62
    2-hexanone 14.36
    octyl acetate 10.27
    limonene 8.4
    1,2-dimethoxyethane 32.07
    ethyl orthosilicate 13.31
    tributyl phosphate 10.71
    diacetone alcohol 16.95
    N,N-dimethylaniline 13.72
    acrylonitrile 19.99
    aniline 16.25
    1,3-propanediol 14.47
    bromobenzene 19.77
    dibromomethane 25.61
    1,1,2,2-tetrachloroethane 52.56
    2-methyl-cyclohexyl acetate 19.11
    tetrabutyl urea 15.79
    diisobutyl methanol 5.13
    2-phenylethanol 22.48
    styrene 7.14
    dioctyl adipate 13.58
    dimethyl sulfate 46.58
    ethyl butyrate 14.08
    methyl lactate 19.59
    butyl lactate 12.39
    diethyl carbonate 13.94
    propanediol butyl ether 10.92
    triethyl orthoformate 12.86
    p-tert-butyltoluene 6.22
    methyl 4-tert-butylbenzoate 22.81
    morpholine 33.93
    tert-butylamine 3.83
    n-dodecanol 4.54
    dimethoxymethane 33.94
    ethylene carbonate 38.21
    cyrene 37.58
    2-ethoxyethyl acetate 18.86
    2-ethylhexyl acetate 15.66
    1,2,4-trichlorobenzene 33.94
    4-methylpyridine 32.44
    dibutyl ether 5.54
    2,6-dimethyl-4-heptanol 5.13
    DEF 26.23
    dimethyl isosorbide 37.61
    tetrachloroethylene 43.78
    eugenol 24.27
    triacetin 19.28
    span 80 14.49
    1,4-butanediol 7.77
    1,1-dichloroethane 18.85
    2-methyl-1-pentanol 8.05
    methyl formate 33.19
    2-methyl-1-butanol 7.32
    n-decane 0.96
    butyronitrile 10.89
    3,7-dimethyl-1-octanol 6.41
    1-chlorooctane 4.77
    1-chlorotetradecane 2.82
    n-nonane 0.74
    undecane 0.84
    tert-butylcyclohexane 1.23
    cyclooctane 0.52
    cyclopentanol 16.08
    tetrahydropyran 19.2
    tert-amyl methyl ether 5.9
    2,5,8-trioxanonane 30.04
    1-hexene 2.17
    2-isopropoxyethanol 14.52
    2,2,2-trifluoroethanol 22.85
    methyl butyrate 20.38

    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