7-Hydroxy-3-(thiophen-2-yl)isobenzofuran-1(3H)-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1438283-15-8

    Molecular formula
    C12H8O3S

    SMILES
    C1=CC2=C(C(=C1)O)C(=O)OC2C3=CC=CS3

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 40.24%
    Sweet 35.54%
    Nutty 34.86%
    Odorless 33.36%
    Bitter 29.83%
    Burnt 29.21%
    Coumarinic 27.84%
    Spicy 27.58%
    Coconut 27.13%
    Vanilla 26.43%

     

    Flavor
    Bitter 83.6%
    Lovage 20.91%
    Cedarleaf 20.66%
    Bread crust 20.27%
    Roasted peanuts 20.24%
    Very strong 20.11%
    Indole 20.05%
    Cereal 19.92%
    Nitrile 19.91%
    Parsley 19.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.18 (neutral)

    Molecular weight
    232.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    411°C

    Melting point expt.

    • 115 - 116 °C

    Flash point

    • 170.22 ˚C est.

  • Synonyms

    • 7-Hydroxy-3-(thiophen-2-yl)isobenzofuran-1(3H)-one
    • Chrycolide
    • 1438283-15-8
    • 91362-91-3
    • CHEBI:169131
    • DTXSID501238526
    • CS-0089350
    • D74874
    • 7-hydroxy-3-(2-thienyl)-3H-isobenzofuran-1-one
    • 7-hydroxy-3-thiophen-2-yl-3H-2-benzouran-1-one
    • 1(3H)-Isobenzofuranone, 7-hydroxy-3-(2-thienyl)-
    • 7-Hydroxy-3-(2-thienyl)-1(3H)-isobenzofuranone, 9CI
    • 7-Hydroxy-3-(thiophen-2-yl)-2-benzofuran-1(3H)-one
    • 7-hydroxy-3-(thiophen-2-yl)-1,3-dihydro-2-benzofuran-1-one
    • 91362-91-3

  • Applications

    7-Hydroxy-3-(thiophen-2-yl)isobenzofuran-1(3H)-one (CAS 1438283-15-8) is primarily used as an organic synthesis intermediate, serving as a versatile building block for constructing heterocyclic lactone frameworks and aryl–thiophene motifs. In medicinal chemistry, it is commonly evaluated as a scaffold for generating lead-like compounds and for library development; its hydroxy and aryl substituents allow diverse functionalization (acylation, etherification, cross-coupling) to access a range of analogs. In addition, it is explored as a precursor in materials science and polymer chemistry for small-molecule components in electronics or optoelectronic applications; overall, it provides synthetic versatility for pharmaceutical and materials research, subject to formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.93
    methanol 19.41
    isopropanol 16.17
    water 0.12
    ethyl acetate 19.98
    n-propanol 13.86
    acetone 47.77
    n-butanol 18.23
    acetonitrile 20.79
    DMF 226.82
    toluene 7.04
    isobutanol 11.55
    1,4-dioxane 54.16
    methyl acetate 26.72
    THF 123.15
    2-butanone 46.07
    n-pentanol 17.26
    sec-butanol 15.44
    n-hexane 0.09
    ethylene glycol 18.19
    NMP 115.07
    cyclohexane 0.26
    DMSO 156.06
    n-butyl acetate 24.83
    n-octanol 21.43
    chloroform 14.0
    n-propyl acetate 25.73
    acetic acid 21.64
    dichloromethane 11.62
    cyclohexanone 74.95
    propylene glycol 25.53
    isopropyl acetate 22.19
    DMAc 160.85
    2-ethoxyethanol 62.36
    isopentanol 23.95
    n-heptane 0.49
    ethyl formate 19.52
    1,2-dichloroethane 14.3
    n-hexanol 22.39
    2-methoxyethanol 135.02
    isobutyl acetate 20.54
    tetrachloromethane 1.47
    n-pentyl acetate 23.4
    transcutol 256.6
    n-heptanol 18.45
    ethylbenzene 5.36
    MIBK 34.14
    2-propoxyethanol 72.78
    tert-butanol 28.39
    MTBE 11.24
    2-butoxyethanol 48.73
    propionic acid 18.45
    o-xylene 6.41
    formic acid 17.61
    diethyl ether 7.28
    m-xylene 8.02
    p-xylene 8.25
    chlorobenzene 12.34
    dimethyl carbonate 27.84
    n-octane 0.32
    formamide 52.2
    cyclopentanone 91.52
    2-pentanone 39.62
    anisole 27.55
    cyclopentyl methyl ether 29.51
    gamma-butyrolactone 80.9
    1-methoxy-2-propanol 118.52
    pyridine 40.37
    3-pentanone 20.9
    furfural 88.73
    n-dodecane 0.93
    diethylene glycol 90.05
    diisopropyl ether 3.85
    tert-amyl alcohol 22.95
    acetylacetone 62.25
    n-hexadecane 1.09
    acetophenone 39.81
    methyl propionate 26.17
    isopentyl acetate 27.67
    trichloroethylene 36.89
    n-nonanol 21.83
    cyclohexanol 23.44
    benzyl alcohol 34.85
    2-ethylhexanol 15.91
    isooctanol 17.89
    dipropyl ether 11.79
    1,2-dichlorobenzene 14.09
    ethyl lactate 36.01
    propylene carbonate 47.3
    n-methylformamide 64.12
    2-pentanol 15.43
    n-pentane 0.1
    1-propoxy-2-propanol 58.0
    1-methoxy-2-propyl acetate 48.89
    2-(2-methoxypropoxy) propanol 73.14
    mesitylene 5.36
    ε-caprolactone 54.04
    p-cymene 7.74
    epichlorohydrin 87.77
    1,1,1-trichloroethane 9.74
    2-aminoethanol 27.59
    morpholine-4-carbaldehyde 122.34
    sulfolane 114.17
    2,2,4-trimethylpentane 0.37
    2-methyltetrahydrofuran 44.18
    n-hexyl acetate 32.55
    isooctane 0.41
    2-(2-butoxyethoxy)ethanol 97.14
    sec-butyl acetate 19.27
    tert-butyl acetate 30.12
    decalin 0.64
    glycerin 67.11
    diglyme 139.11
    acrylic acid 23.74
    isopropyl myristate 18.16
    n-butyric acid 26.83
    acetyl acetate 17.96
    di(2-ethylhexyl) phthalate 22.06
    ethyl propionate 22.53
    nitromethane 69.43
    1,2-diethoxyethane 44.17
    benzonitrile 36.22
    trioctyl phosphate 17.11
    1-bromopropane 3.83
    gamma-valerolactone 125.8
    n-decanol 17.32
    triethyl phosphate 17.4
    4-methyl-2-pentanol 15.91
    propionitrile 22.39
    vinylene carbonate 42.71
    1,1,2-trichlorotrifluoroethane 79.5
    DMS 31.91
    cumene 5.11
    2-octanol 15.85
    2-hexanone 36.34
    octyl acetate 22.18
    limonene 9.15
    1,2-dimethoxyethane 94.58
    ethyl orthosilicate 15.73
    tributyl phosphate 19.37
    diacetone alcohol 71.86
    N,N-dimethylaniline 22.08
    acrylonitrile 39.64
    aniline 22.13
    1,3-propanediol 49.23
    bromobenzene 9.13
    dibromomethane 5.67
    1,1,2,2-tetrachloroethane 33.19
    2-methyl-cyclohexyl acetate 24.89
    tetrabutyl urea 30.75
    diisobutyl methanol 13.1
    2-phenylethanol 36.07
    styrene 6.19
    dioctyl adipate 25.64
    dimethyl sulfate 51.86
    ethyl butyrate 22.03
    methyl lactate 51.6
    butyl lactate 37.06
    diethyl carbonate 17.68
    propanediol butyl ether 65.78
    triethyl orthoformate 21.51
    p-tert-butyltoluene 7.51
    methyl 4-tert-butylbenzoate 39.3
    morpholine 71.46
    tert-butylamine 9.96
    n-dodecanol 13.49
    dimethoxymethane 92.92
    ethylene carbonate 34.08
    cyrene 70.72
    2-ethoxyethyl acetate 38.99
    2-ethylhexyl acetate 20.54
    1,2,4-trichlorobenzene 20.91
    4-methylpyridine 41.3
    dibutyl ether 15.5
    2,6-dimethyl-4-heptanol 13.1
    DEF 47.83
    dimethyl isosorbide 88.28
    tetrachloroethylene 15.6
    eugenol 52.1
    triacetin 43.6
    span 80 48.61
    1,4-butanediol 21.68
    1,1-dichloroethane 8.91
    2-methyl-1-pentanol 20.74
    methyl formate 47.7
    2-methyl-1-butanol 17.53
    n-decane 1.13
    butyronitrile 23.6
    3,7-dimethyl-1-octanol 21.97
    1-chlorooctane 6.51
    1-chlorotetradecane 3.74
    n-nonane 0.74
    undecane 1.05
    tert-butylcyclohexane 0.62
    cyclooctane 0.18
    cyclopentanol 28.86
    tetrahydropyran 27.88
    tert-amyl methyl ether 12.28
    2,5,8-trioxanonane 111.38
    1-hexene 1.01
    2-isopropoxyethanol 45.89
    2,2,2-trifluoroethanol 16.75
    methyl butyrate 31.68

    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