6-hydroxy-2H-chromen-2-one

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  • Identifiers

    CAS number
    6093-68-1

    Molecular formula
    C9H6O3

    SMILES
    C1=CC2=C(C=CC(=O)O2)C=C1O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 58.97%
    Sweet 58.34%
    Nutty 40.84%
    Burnt 38.91%
    Vanilla 38.74%
    Coconut 35.97%
    Coumarinic 35.31%
    Creamy 33.93%
    Balsamic 33.55%
    Caramellic 31.43%

     

    Flavor
    Bitter 78.6%
    Sweet 36.79%
    Tonka 30.07%
    Almond 28.68%
    Balsam 24.22%
    Nutty 22.58%
    Medical 22.35%
    Green 22.33%
    Creamy 21.46%
    Fragrant 21.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.04 (weak base)

    Molecular weight
    162.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Flash point

    • 167.82 ˚C est.

  • Synonyms

    • 6-Hydroxy-2H-chromen-2-one
    • RefChem:543379
    • 628-689-9
    • InChI=1/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10
    • 6-Hydroxycoumarin
    • 6093-68-1
    • 6-hydroxychromen-2-one
    • 2H-1-Benzopyran-2-one, 6-hydroxy-
    • 6-hydroxy coumarin
    • MFCD00630040
    • 6-Hydroxy-2H-1-benzopyran-2-one
    • 6-Hydroxycoumaran
    • CHEMBL243263
    • 7FS6H939K6
    • NSC677227
    • NSC-226192
    • NSC-677227
    • 2H-1-Benzopyran-2-one,6-hydroxy-
    • NSC226192
    • 6-Hydroxycoumarin, 96%
    • 6-hydroxy-chromene-2-one
    • SCHEMBL187709
    • UNII-7FS6H939K6
    • orb1304704
    • SCHEMBL5542275
    • SCHEMBL30640534
    • 6-Hydroxy-2H-chromen-2-one #
    • DTXSID70209760
    • HY-N6656
    • BDBM50327651
    • s9364
    • SBB056309
    • AKOS005258623
    • CCG-266293
    • EBC-612723
    • FH59709
    • NSC 226192
    • AC-34657
    • AS-17834
    • PD087275
    • ST097006
    • SY051111
    • DB-053747
    • CS-0083182
    • H1327
    • N12041
    • F069115
    • 6093-68-1

  • Applications

    6-hydroxy-2H-chromen-2-one (CAS 6093-68-1) is used as a synthetic building block across several industries: in fragrance and cosmetic chemistry it serves as a basis for the synthesis of fragrance compounds and may act as a fixative; in pharmaceuticals it is an intermediate in the preparation of various coumarin derivatives for research and development; in plastics, inks, and coatings it can be used as a colorant precursor or as a component in polymer systems; in analytical chemistry and life-science research, coumarin derivatives including 6-hydroxy-2H-chromen-2-one are used as fluorophores or precursors for optical sensors and probes; and as a general building block for other optically active or advanced material applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 72.1
    methanol 95.72
    isopropanol 46.35
    water 4.72
    ethyl acetate 23.88
    n-propanol 38.57
    acetone 106.26
    n-butanol 30.65
    acetonitrile 28.2
    DMF 225.86
    toluene 4.63
    isobutanol 24.71
    1,4-dioxane 93.99
    methyl acetate 52.95
    THF 104.15
    2-butanone 73.3
    n-pentanol 24.62
    sec-butanol 40.47
    n-hexane 0.94
    ethylene glycol 49.82
    NMP 111.48
    cyclohexane 0.41
    DMSO 413.8
    n-butyl acetate 29.79
    n-octanol 15.5
    chloroform 7.41
    n-propyl acetate 22.5
    acetic acid 35.07
    dichloromethane 15.05
    cyclohexanone 27.74
    propylene glycol 24.4
    isopropyl acetate 17.26
    DMAc 192.74
    2-ethoxyethanol 111.95
    isopentanol 31.1
    n-heptane 1.29
    ethyl formate 27.34
    1,2-dichloroethane 20.95
    n-hexanol 25.73
    2-methoxyethanol 190.33
    isobutyl acetate 7.81
    tetrachloromethane 3.56
    n-pentyl acetate 18.64
    transcutol 245.71
    n-heptanol 14.31
    ethylbenzene 5.88
    MIBK 23.93
    2-propoxyethanol 90.35
    tert-butanol 59.03
    MTBE 38.29
    2-butoxyethanol 47.91
    propionic acid 26.35
    o-xylene 7.69
    formic acid 50.24
    diethyl ether 32.97
    m-xylene 4.88
    p-xylene 6.35
    chlorobenzene 5.14
    dimethyl carbonate 23.98
    n-octane 0.6
    formamide 133.97
    cyclopentanone 52.25
    2-pentanone 37.93
    anisole 33.49
    cyclopentyl methyl ether 24.86
    gamma-butyrolactone 61.13
    1-methoxy-2-propanol 96.03
    pyridine 32.44
    3-pentanone 27.5
    furfural 71.58
    n-dodecane 0.52
    diethylene glycol 118.08
    diisopropyl ether 8.44
    tert-amyl alcohol 54.96
    acetylacetone 46.96
    n-hexadecane 0.59
    acetophenone 31.49
    methyl propionate 30.0
    isopentyl acetate 25.25
    trichloroethylene 25.05
    n-nonanol 13.55
    cyclohexanol 15.49
    benzyl alcohol 23.95
    2-ethylhexanol 14.47
    isooctanol 10.83
    dipropyl ether 16.11
    1,2-dichlorobenzene 7.42
    ethyl lactate 20.02
    propylene carbonate 23.57
    n-methylformamide 99.18
    2-pentanol 23.01
    n-pentane 0.84
    1-propoxy-2-propanol 54.34
    1-methoxy-2-propyl acetate 40.22
    2-(2-methoxypropoxy) propanol 59.67
    mesitylene 3.72
    ε-caprolactone 33.77
    p-cymene 7.07
    epichlorohydrin 95.46
    1,1,1-trichloroethane 9.89
    2-aminoethanol 49.48
    morpholine-4-carbaldehyde 137.33
    sulfolane 95.55
    2,2,4-trimethylpentane 0.99
    2-methyltetrahydrofuran 57.49
    n-hexyl acetate 27.1
    isooctane 0.57
    2-(2-butoxyethoxy)ethanol 73.37
    sec-butyl acetate 14.51
    tert-butyl acetate 25.86
    decalin 0.85
    glycerin 53.43
    diglyme 155.88
    acrylic acid 25.54
    isopropyl myristate 9.7
    n-butyric acid 23.77
    acetyl acetate 13.38
    di(2-ethylhexyl) phthalate 11.36
    ethyl propionate 21.02
    nitromethane 105.7
    1,2-diethoxyethane 52.91
    benzonitrile 16.68
    trioctyl phosphate 8.63
    1-bromopropane 8.98
    gamma-valerolactone 86.87
    n-decanol 9.81
    triethyl phosphate 15.69
    4-methyl-2-pentanol 14.01
    propionitrile 18.73
    vinylene carbonate 18.03
    1,1,2-trichlorotrifluoroethane 60.25
    DMS 24.34
    cumene 5.47
    2-octanol 10.78
    2-hexanone 31.73
    octyl acetate 13.34
    limonene 8.5
    1,2-dimethoxyethane 178.0
    ethyl orthosilicate 14.02
    tributyl phosphate 11.12
    diacetone alcohol 56.78
    N,N-dimethylaniline 24.95
    acrylonitrile 27.0
    aniline 14.74
    1,3-propanediol 69.16
    bromobenzene 3.67
    dibromomethane 7.64
    1,1,2,2-tetrachloroethane 20.18
    2-methyl-cyclohexyl acetate 17.02
    tetrabutyl urea 18.05
    diisobutyl methanol 10.69
    2-phenylethanol 27.79
    styrene 5.82
    dioctyl adipate 14.97
    dimethyl sulfate 54.33
    ethyl butyrate 20.01
    methyl lactate 29.49
    butyl lactate 21.59
    diethyl carbonate 15.65
    propanediol butyl ether 44.21
    triethyl orthoformate 16.87
    p-tert-butyltoluene 6.4
    methyl 4-tert-butylbenzoate 31.61
    morpholine 92.41
    tert-butylamine 23.95
    n-dodecanol 6.75
    dimethoxymethane 107.42
    ethylene carbonate 14.62
    cyrene 41.37
    2-ethoxyethyl acetate 34.41
    2-ethylhexyl acetate 19.49
    1,2,4-trichlorobenzene 10.72
    4-methylpyridine 30.83
    dibutyl ether 15.46
    2,6-dimethyl-4-heptanol 10.69
    DEF 59.84
    dimethyl isosorbide 77.0
    tetrachloroethylene 17.34
    eugenol 36.29
    triacetin 25.66
    span 80 27.93
    1,4-butanediol 29.72
    1,1-dichloroethane 10.76
    2-methyl-1-pentanol 23.72
    methyl formate 72.13
    2-methyl-1-butanol 29.02
    n-decane 0.93
    butyronitrile 17.06
    3,7-dimethyl-1-octanol 15.33
    1-chlorooctane 5.07
    1-chlorotetradecane 1.9
    n-nonane 0.83
    undecane 0.69
    tert-butylcyclohexane 1.0
    cyclooctane 0.27
    cyclopentanol 20.98
    tetrahydropyran 30.64
    tert-amyl methyl ether 34.7
    2,5,8-trioxanonane 96.55
    1-hexene 4.87
    2-isopropoxyethanol 62.9
    2,2,2-trifluoroethanol 25.28
    methyl butyrate 28.76

    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