8-Acetyl-7-hydroxycoumarin

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  • Identifiers

    CAS number
    6748-68-1

    Molecular formula
    C11H8O4

    SMILES
    CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 55.0%
    Phenolic 45.38%
    Burnt 40.19%
    Coumarinic 39.1%
    Caramellic 37.71%
    Nutty 35.47%
    Vanilla 35.07%
    Balsamic 32.37%
    Bitter 31.22%
    Odorless 30.73%

     

    Flavor
    Bitter 59.81%
    Sweet 35.64%
    Odorless 25.19%
    Phenolic 23.68%
    Mild 23.48%
    Nutty 23.44%
    Tobacco 21.88%
    Heliotropin 21.67%
    Balsam 21.52%
    Cadaverous 21.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.23 (neutral)

    Molecular weight
    204.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    380°C

    Flash point

    • 178.91 ˚C est.

  • Synonyms

    • 8-Acetyl-7-hydroxycoumarin
    • 6748-68-1
    • 8-acetyl-7-hydroxychromen-2-one
    • QD6QWL7EQR
    • DTXSID40419935
    • RefChem:547536
    • DTXCID70370782
    • 623-154-6
    • 8-acetyl-7-hydroxy-2H-chromen-2-one
    • CHEMBL446518
    • 8-Acetyl-7-hydroxy-2H-1-benzopyran-2-one
    • MFCD00270162
    • 7-hydroxy-8-acetylcoumarin
    • 2H-1-Benzopyran-2-one, 8-acetyl-7-hydroxy-
    • 8-acetyl-7-hydroxy-chromen-2-one
    • Umbelliferone, 8-acetyl-
    • orb1299317
    • SCHEMBL4639845
    • Coumarin, 8-acetyl-7-hydroxy-
    • SCHEMBL31004966
    • XWYMACPLPPQCHC-UHFFFAOYSA-N
    • 8-acetyl-7-hydroxy-2-oxochromene
    • 8-Acetyl-7-hydroxycoumarin, 97%
    • BDBM50332038
    • AKOS022647720
    • EBC-616468
    • PD158651
    • TS-09781
    • HY-138145
    • CS-0145496
    • ST50309088
    • G78147
    • AN-829/13872055
    • 6748-68-1

  • Applications

    8-Acetyl-7-hydroxycoumarin (CAS 6748-68-1) is commonly used as a synthetic intermediate in the development of coumarin derivatives for pharmaceutical and chemical applications. In fragrance and personal care, it can serve as a vanilla-like note in perfumes and personal care products. As a fluorophore, it provides optical properties relevant to analytical reagents, sensing, and imaging, and can be used as a dye or marker in coatings and inks. It is also evaluated as a building block for polymer and electronics-related materials where coumarin chromophores are integrated to enhance optical performance. Additionally, it may be employed in research and synthesis of more complex coumarin compounds. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.46
    methanol 50.71
    isopropanol 18.98
    water 0.52
    ethyl acetate 37.82
    n-propanol 21.62
    acetone 121.89
    n-butanol 18.0
    acetonitrile 48.1
    DMF 567.15
    toluene 5.99
    isobutanol 15.93
    1,4-dioxane 125.29
    methyl acetate 57.91
    THF 192.28
    2-butanone 63.21
    n-pentanol 18.07
    sec-butanol 14.4
    n-hexane 0.75
    ethylene glycol 20.14
    NMP 274.61
    cyclohexane 0.67
    DMSO 501.11
    n-butyl acetate 31.01
    n-octanol 15.29
    chloroform 9.52
    n-propyl acetate 34.95
    acetic acid 41.37
    dichloromethane 35.98
    cyclohexanone 83.92
    propylene glycol 12.06
    isopropyl acetate 21.78
    DMAc 243.45
    2-ethoxyethanol 61.31
    isopentanol 16.87
    n-heptane 1.61
    ethyl formate 51.32
    1,2-dichloroethane 36.68
    n-hexanol 18.01
    2-methoxyethanol 120.92
    isobutyl acetate 17.8
    tetrachloromethane 1.49
    n-pentyl acetate 24.0
    transcutol 83.4
    n-heptanol 13.14
    ethylbenzene 6.77
    MIBK 26.79
    2-propoxyethanol 72.04
    tert-butanol 26.42
    MTBE 13.77
    2-butoxyethanol 34.67
    propionic acid 26.82
    o-xylene 7.71
    formic acid 30.16
    diethyl ether 18.48
    m-xylene 7.98
    p-xylene 9.96
    chlorobenzene 11.21
    dimethyl carbonate 49.68
    n-octane 0.94
    formamide 87.32
    cyclopentanone 155.85
    2-pentanone 47.54
    anisole 25.56
    cyclopentyl methyl ether 43.55
    gamma-butyrolactone 188.44
    1-methoxy-2-propanol 68.58
    pyridine 45.29
    3-pentanone 35.15
    furfural 146.45
    n-dodecane 1.42
    diethylene glycol 79.68
    diisopropyl ether 5.28
    tert-amyl alcohol 16.78
    acetylacetone 85.69
    n-hexadecane 1.65
    acetophenone 36.07
    methyl propionate 54.95
    isopentyl acetate 23.67
    trichloroethylene 44.24
    n-nonanol 14.99
    cyclohexanol 17.05
    benzyl alcohol 26.7
    2-ethylhexanol 13.28
    isooctanol 11.52
    dipropyl ether 20.18
    1,2-dichlorobenzene 13.36
    ethyl lactate 28.49
    propylene carbonate 69.34
    n-methylformamide 176.93
    2-pentanol 10.71
    n-pentane 0.59
    1-propoxy-2-propanol 41.59
    1-methoxy-2-propyl acetate 46.55
    2-(2-methoxypropoxy) propanol 41.1
    mesitylene 5.46
    ε-caprolactone 70.96
    p-cymene 8.93
    epichlorohydrin 181.27
    1,1,1-trichloroethane 11.9
    2-aminoethanol 23.19
    morpholine-4-carbaldehyde 231.24
    sulfolane 241.73
    2,2,4-trimethylpentane 0.6
    2-methyltetrahydrofuran 63.78
    n-hexyl acetate 30.7
    isooctane 0.54
    2-(2-butoxyethoxy)ethanol 50.19
    sec-butyl acetate 17.21
    tert-butyl acetate 24.32
    decalin 1.31
    glycerin 31.62
    diglyme 99.97
    acrylic acid 31.52
    isopropyl myristate 15.37
    n-butyric acid 27.99
    acetyl acetate 27.56
    di(2-ethylhexyl) phthalate 18.45
    ethyl propionate 33.89
    nitromethane 185.23
    1,2-diethoxyethane 36.63
    benzonitrile 32.2
    trioctyl phosphate 15.37
    1-bromopropane 10.8
    gamma-valerolactone 219.65
    n-decanol 12.75
    triethyl phosphate 19.08
    4-methyl-2-pentanol 7.85
    propionitrile 33.0
    vinylene carbonate 67.84
    1,1,2-trichlorotrifluoroethane 71.06
    DMS 38.57
    cumene 6.69
    2-octanol 9.96
    2-hexanone 38.68
    octyl acetate 20.98
    limonene 11.37
    1,2-dimethoxyethane 152.28
    ethyl orthosilicate 15.95
    tributyl phosphate 17.37
    diacetone alcohol 43.59
    N,N-dimethylaniline 23.39
    acrylonitrile 60.72
    aniline 15.27
    1,3-propanediol 35.74
    bromobenzene 8.72
    dibromomethane 13.69
    1,1,2,2-tetrachloroethane 28.6
    2-methyl-cyclohexyl acetate 24.93
    tetrabutyl urea 29.41
    diisobutyl methanol 9.36
    2-phenylethanol 24.83
    styrene 6.54
    dioctyl adipate 25.49
    dimethyl sulfate 98.8
    ethyl butyrate 28.05
    methyl lactate 46.0
    butyl lactate 22.7
    diethyl carbonate 20.4
    propanediol butyl ether 30.17
    triethyl orthoformate 20.53
    p-tert-butyltoluene 7.63
    methyl 4-tert-butylbenzoate 38.46
    morpholine 108.65
    tert-butylamine 10.17
    n-dodecanol 10.37
    dimethoxymethane 190.55
    ethylene carbonate 53.05
    cyrene 60.41
    2-ethoxyethyl acetate 37.0
    2-ethylhexyl acetate 19.66
    1,2,4-trichlorobenzene 17.75
    4-methylpyridine 47.3
    dibutyl ether 17.07
    2,6-dimethyl-4-heptanol 9.36
    DEF 86.87
    dimethyl isosorbide 87.44
    tetrachloroethylene 14.81
    eugenol 41.31
    triacetin 34.99
    span 80 30.52
    1,4-butanediol 18.35
    1,1-dichloroethane 14.94
    2-methyl-1-pentanol 15.62
    methyl formate 176.43
    2-methyl-1-butanol 14.67
    n-decane 1.9
    butyronitrile 28.18
    3,7-dimethyl-1-octanol 14.11
    1-chlorooctane 8.57
    1-chlorotetradecane 4.55
    n-nonane 1.54
    undecane 1.64
    tert-butylcyclohexane 1.3
    cyclooctane 0.39
    cyclopentanol 27.64
    tetrahydropyran 43.1
    tert-amyl methyl ether 14.09
    2,5,8-trioxanonane 76.99
    1-hexene 4.35
    2-isopropoxyethanol 38.53
    2,2,2-trifluoroethanol 25.65
    methyl butyrate 46.51

    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