8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one

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  • Identifiers

    CAS number
    1570-27-0

    Molecular formula
    C11H10O3

    SMILES
    CC1=C(OC(=O)C2=C1C=CC=C2O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 63.24%
    Sweet 39.5%
    Burnt 37.34%
    Smoky 33.37%
    Spicy 33.01%
    Medicinal 31.99%
    Animal 30.62%
    Musty 28.4%
    Leathery 27.49%
    Dry 26.19%

     

    Flavor
    Bitter 74.03%
    Phenolic 28.27%
    Flat 22.53%
    Very strong 22.02%
    Eugenol 21.89%
    Indole 21.68%
    Parsley 21.44%
    Curry 21.28%
    Soybean 21.21%
    Cedarleaf 21.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.31 (neutral)

    Molecular weight
    190.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    426°C

    Flash point

    • 155.62 ˚C est.

  • Synonyms

    • 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one
    • Oospolactone
    • 1570-27-0
    • 8-hydroxy-3,4-dimethylisochromen-1-one
    • 1H-2-Benzopyran-1-one, 8-hydroxy-3,4-dimethyl-
    • 3,4-dimethyl-8-hydroxyisocoumarin
    • 8-hydroxy-3,4-dimethylisocoumarin
    • CHEMBL477547
    • DTXSID30166183
    • CHEBI:219439
    • 1570-27-0

  • Applications

    Chemical name: 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one; CAS number: 1570-27-0; this hydroxy-dimethyl coumarin derivative is used primarily as an intermediate in organic synthesis for pharmaceutical and agrochemical development and as a building block for dyes and pigments. In fragrance and flavor applications it can serve as an aroma precursor, contributing to characteristic notes; in cosmetics and personal care it is evaluated as a fragrance ingredient or formulation handle. In analytical and materials contexts, it may function as a fluorescent probe or marker in research, and can be incorporated into coatings or inks as a dye/trace component in polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.81
    methanol 48.55
    isopropanol 35.11
    water 0.12
    ethyl acetate 49.0
    n-propanol 38.72
    acetone 133.22
    n-butanol 39.12
    acetonitrile 55.96
    DMF 628.52
    toluene 25.34
    isobutanol 31.71
    1,4-dioxane 163.54
    methyl acetate 64.51
    THF 323.98
    2-butanone 90.04
    n-pentanol 34.63
    sec-butanol 27.0
    n-hexane 1.86
    ethylene glycol 12.43
    NMP 183.31
    cyclohexane 2.5
    DMSO 367.45
    n-butyl acetate 51.95
    n-octanol 24.71
    chloroform 72.63
    n-propyl acetate 44.09
    acetic acid 30.51
    dichloromethane 133.41
    cyclohexanone 131.34
    propylene glycol 8.9
    isopropyl acetate 32.83
    DMAc 190.8
    2-ethoxyethanol 65.24
    isopentanol 36.63
    n-heptane 3.4
    ethyl formate 69.41
    1,2-dichloroethane 118.62
    n-hexanol 50.0
    2-methoxyethanol 139.25
    isobutyl acetate 28.83
    tetrachloromethane 11.0
    n-pentyl acetate 42.0
    transcutol 67.97
    n-heptanol 28.23
    ethylbenzene 17.85
    MIBK 49.16
    2-propoxyethanol 108.4
    tert-butanol 54.42
    MTBE 31.73
    2-butoxyethanol 52.26
    propionic acid 24.91
    o-xylene 19.76
    formic acid 15.22
    diethyl ether 34.47
    m-xylene 22.7
    p-xylene 28.42
    chlorobenzene 39.02
    dimethyl carbonate 41.43
    n-octane 2.36
    formamide 52.45
    cyclopentanone 219.34
    2-pentanone 79.09
    anisole 45.23
    cyclopentyl methyl ether 72.86
    gamma-butyrolactone 213.13
    1-methoxy-2-propanol 86.47
    pyridine 93.19
    3-pentanone 53.15
    furfural 152.15
    n-dodecane 2.69
    diethylene glycol 78.38
    diisopropyl ether 10.73
    tert-amyl alcohol 33.44
    acetylacetone 99.16
    n-hexadecane 3.25
    acetophenone 48.68
    methyl propionate 59.06
    isopentyl acetate 46.38
    trichloroethylene 158.21
    n-nonanol 24.43
    cyclohexanol 33.45
    benzyl alcohol 39.57
    2-ethylhexanol 30.82
    isooctanol 23.2
    dipropyl ether 29.96
    1,2-dichlorobenzene 36.57
    ethyl lactate 25.25
    propylene carbonate 78.84
    n-methylformamide 165.83
    2-pentanol 21.8
    n-pentane 1.46
    1-propoxy-2-propanol 58.88
    1-methoxy-2-propyl acetate 61.0
    2-(2-methoxypropoxy) propanol 43.3
    mesitylene 14.45
    ε-caprolactone 87.25
    p-cymene 18.38
    epichlorohydrin 265.46
    1,1,1-trichloroethane 64.95
    2-aminoethanol 20.81
    morpholine-4-carbaldehyde 198.97
    sulfolane 237.21
    2,2,4-trimethylpentane 1.57
    2-methyltetrahydrofuran 110.98
    n-hexyl acetate 49.42
    isooctane 1.59
    2-(2-butoxyethoxy)ethanol 57.29
    sec-butyl acetate 24.8
    tert-butyl acetate 40.83
    decalin 3.22
    glycerin 20.46
    diglyme 113.08
    acrylic acid 23.41
    isopropyl myristate 22.89
    n-butyric acid 39.87
    acetyl acetate 30.96
    di(2-ethylhexyl) phthalate 23.58
    ethyl propionate 39.25
    nitromethane 128.22
    1,2-diethoxyethane 46.64
    benzonitrile 54.65
    trioctyl phosphate 20.97
    1-bromopropane 43.92
    gamma-valerolactone 250.03
    n-decanol 20.1
    triethyl phosphate 24.6
    4-methyl-2-pentanol 16.35
    propionitrile 56.59
    vinylene carbonate 79.08
    1,1,2-trichlorotrifluoroethane 83.1
    DMS 43.62
    cumene 15.0
    2-octanol 21.72
    2-hexanone 57.87
    octyl acetate 30.19
    limonene 23.17
    1,2-dimethoxyethane 185.76
    ethyl orthosilicate 22.04
    tributyl phosphate 22.83
    diacetone alcohol 63.57
    N,N-dimethylaniline 33.26
    acrylonitrile 82.15
    aniline 30.21
    1,3-propanediol 47.41
    bromobenzene 37.06
    dibromomethane 68.97
    1,1,2,2-tetrachloroethane 100.45
    2-methyl-cyclohexyl acetate 36.38
    tetrabutyl urea 36.26
    diisobutyl methanol 19.63
    2-phenylethanol 50.72
    styrene 17.35
    dioctyl adipate 30.14
    dimethyl sulfate 83.05
    ethyl butyrate 37.44
    methyl lactate 30.31
    butyl lactate 29.43
    diethyl carbonate 26.67
    propanediol butyl ether 34.0
    triethyl orthoformate 27.07
    p-tert-butyltoluene 16.89
    methyl 4-tert-butylbenzoate 50.15
    morpholine 151.66
    tert-butylamine 24.07
    n-dodecanol 16.31
    dimethoxymethane 211.17
    ethylene carbonate 66.88
    cyrene 53.22
    2-ethoxyethyl acetate 50.22
    2-ethylhexyl acetate 37.96
    1,2,4-trichlorobenzene 41.53
    4-methylpyridine 95.34
    dibutyl ether 28.01
    2,6-dimethyl-4-heptanol 19.63
    DEF 101.67
    dimethyl isosorbide 87.72
    tetrachloroethylene 58.38
    eugenol 51.25
    triacetin 38.62
    span 80 33.69
    1,4-butanediol 19.57
    1,1-dichloroethane 68.97
    2-methyl-1-pentanol 30.95
    methyl formate 148.9
    2-methyl-1-butanol 30.09
    n-decane 4.04
    butyronitrile 58.52
    3,7-dimethyl-1-octanol 24.0
    1-chlorooctane 17.9
    1-chlorotetradecane 9.06
    n-nonane 3.33
    undecane 3.32
    tert-butylcyclohexane 3.45
    cyclooctane 1.12
    cyclopentanol 51.54
    tetrahydropyran 91.6
    tert-amyl methyl ether 26.71
    2,5,8-trioxanonane 79.26
    1-hexene 10.64
    2-isopropoxyethanol 45.41
    2,2,2-trifluoroethanol 18.17
    methyl butyrate 61.99

    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