Apigravin

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  • Identifiers

    CAS number
    72963-64-5

    Molecular formula
    C15H16O4

    SMILES
    CC(=CCC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 54.45%
    Phenolic 43.91%
    Fruity 42.33%
    Woody 38.33%
    Sweet 32.74%
    Dry 31.8%
    Smoky 30.4%
    Burnt 29.09%
    Herbal 26.31%
    Warm 24.87%

     

    Flavor
    Bitter 64.14%
    Spice 28.33%
    Woody 28.06%
    Spicy 25.01%
    Parsley 21.54%
    Eugenol 20.38%
    Lovage 20.24%
    Ham 20.23%
    Allspice 19.95%
    Cedarleaf 19.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.51 (weak base)

    Molecular weight
    260.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    428°C

    Melting point expt.

    • 167 - 169 °C

    Flash point

    • 173.09 ˚C est.

  • Synonyms

    • Apigravin
    • 72963-64-5
    • UNII-HGO0093557
    • HGO0093557
    • 2H-1-Benzopyran-2-one, 7-hydroxy-8-methoxy-6-(3-methyl-2-buten-1-yl)-
    • 2H-1-Benzopyran-2-one, 7-hydroxy-8-methoxy-6-(3-methyl-2-butenyl)-
    • orb1981860
    • SCHEMBL31380124
    • SCHEMBL31380125
    • CHEBI:174409
    • DTXSID501162808
    • 7-Hydroxy-8-methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one
    • 7-hydroxy-8-methoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
    • HY-N11169
    • 7-Hydroxy-8-methoxy-6-prenylcoumarin
    • DA-50641
    • CS-0639031
    • Q27279921
    • 7-hydroxy-8-methoxy-6-(3-methylbut-2-enyl)chromen-2-one
    • 7-Hydroxy-8-methoxy-6-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-2-one
    • 7-Hydroxy-8-methoxy-6-(3-methylbut-2-en-1-yl)-2H-1-benzopyran-2-one
    • 72963-64-5

  • Applications

    Apigravin (CAS 72963-64-5) is considered for a range of industrial applications, including as an intermediate in chemical synthesis, a solvent or processing aid in coatings and inks, and as a stabilizer or processing aid in polymers and plastics; in perfumery and fragrances it may serve as a carrier or fixative, in cosmetics and personal care it can function as a solvent or texture-enhancing ingredient, and it is evaluated for cleaning formulations and detergents used in household or industrial settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.99
    methanol 23.88
    isopropanol 18.74
    water 0.0
    ethyl acetate 58.79
    n-propanol 28.5
    acetone 77.86
    n-butanol 21.52
    acetonitrile 33.1
    DMF 328.44
    toluene 14.22
    isobutanol 21.45
    1,4-dioxane 52.89
    methyl acetate 81.06
    THF 185.78
    2-butanone 101.12
    n-pentanol 21.01
    sec-butanol 24.93
    n-hexane 0.19
    ethylene glycol 7.64
    NMP 175.4
    cyclohexane 0.38
    DMSO 199.91
    n-butyl acetate 42.04
    n-octanol 10.7
    chloroform 55.52
    n-propyl acetate 44.16
    acetic acid 66.86
    dichloromethane 91.6
    cyclohexanone 106.57
    propylene glycol 13.95
    isopropyl acetate 36.31
    DMAc 245.26
    2-ethoxyethanol 67.79
    isopentanol 26.27
    n-heptane 0.37
    ethyl formate 31.24
    1,2-dichloroethane 81.09
    n-hexanol 23.16
    2-methoxyethanol 122.34
    isobutyl acetate 27.49
    tetrachloromethane 2.85
    n-pentyl acetate 31.53
    transcutol 222.62
    n-heptanol 15.26
    ethylbenzene 8.74
    MIBK 37.42
    2-propoxyethanol 77.56
    tert-butanol 39.04
    MTBE 28.24
    2-butoxyethanol 47.6
    propionic acid 39.72
    o-xylene 11.36
    formic acid 19.89
    diethyl ether 17.99
    m-xylene 11.78
    p-xylene 13.34
    chlorobenzene 25.38
    dimethyl carbonate 40.69
    n-octane 0.31
    formamide 69.42
    cyclopentanone 194.65
    2-pentanone 59.45
    anisole 32.9
    cyclopentyl methyl ether 51.34
    gamma-butyrolactone 193.3
    1-methoxy-2-propanol 87.22
    pyridine 106.4
    3-pentanone 43.92
    furfural 154.06
    n-dodecane 0.43
    diethylene glycol 61.22
    diisopropyl ether 5.36
    tert-amyl alcohol 38.57
    acetylacetone 89.22
    n-hexadecane 0.51
    acetophenone 46.89
    methyl propionate 72.34
    isopentyl acetate 45.35
    trichloroethylene 187.36
    n-nonanol 11.54
    cyclohexanol 21.88
    benzyl alcohol 39.44
    2-ethylhexanol 16.41
    isooctanol 14.49
    dipropyl ether 11.59
    1,2-dichlorobenzene 26.71
    ethyl lactate 28.25
    propylene carbonate 69.09
    n-methylformamide 94.37
    2-pentanol 15.1
    n-pentane 0.17
    1-propoxy-2-propanol 48.09
    1-methoxy-2-propyl acetate 64.46
    2-(2-methoxypropoxy) propanol 55.46
    mesitylene 5.92
    ε-caprolactone 93.04
    p-cymene 9.05
    epichlorohydrin 261.95
    1,1,1-trichloroethane 31.82
    2-aminoethanol 20.84
    morpholine-4-carbaldehyde 174.83
    sulfolane 217.02
    2,2,4-trimethylpentane 0.65
    2-methyltetrahydrofuran 86.51
    n-hexyl acetate 36.89
    isooctane 0.4
    2-(2-butoxyethoxy)ethanol 71.53
    sec-butyl acetate 27.7
    tert-butyl acetate 48.3
    decalin 0.78
    glycerin 31.81
    diglyme 148.48
    acrylic acid 46.29
    isopropyl myristate 13.26
    n-butyric acid 49.2
    acetyl acetate 33.75
    di(2-ethylhexyl) phthalate 19.74
    ethyl propionate 36.05
    nitromethane 178.16
    1,2-diethoxyethane 43.9
    benzonitrile 39.39
    trioctyl phosphate 12.7
    1-bromopropane 19.49
    gamma-valerolactone 216.65
    n-decanol 8.73
    triethyl phosphate 19.72
    4-methyl-2-pentanol 12.5
    propionitrile 31.76
    vinylene carbonate 61.85
    1,1,2-trichlorotrifluoroethane 132.85
    DMS 53.16
    cumene 7.11
    2-octanol 10.1
    2-hexanone 40.66
    octyl acetate 18.57
    limonene 10.98
    1,2-dimethoxyethane 108.73
    ethyl orthosilicate 18.21
    tributyl phosphate 15.81
    diacetone alcohol 77.67
    N,N-dimethylaniline 24.51
    acrylonitrile 63.82
    aniline 38.3
    1,3-propanediol 36.07
    bromobenzene 21.16
    dibromomethane 36.22
    1,1,2,2-tetrachloroethane 111.22
    2-methyl-cyclohexyl acetate 32.0
    tetrabutyl urea 21.99
    diisobutyl methanol 10.47
    2-phenylethanol 41.34
    styrene 10.24
    dioctyl adipate 26.3
    dimethyl sulfate 82.22
    ethyl butyrate 29.69
    methyl lactate 41.41
    butyl lactate 31.51
    diethyl carbonate 21.94
    propanediol butyl ether 40.41
    triethyl orthoformate 22.81
    p-tert-butyltoluene 8.58
    methyl 4-tert-butylbenzoate 46.36
    morpholine 104.14
    tert-butylamine 14.14
    n-dodecanol 6.49
    dimethoxymethane 125.81
    ethylene carbonate 43.02
    cyrene 62.32
    2-ethoxyethyl acetate 60.37
    2-ethylhexyl acetate 32.95
    1,2,4-trichlorobenzene 39.05
    4-methylpyridine 91.11
    dibutyl ether 11.13
    2,6-dimethyl-4-heptanol 10.47
    DEF 85.25
    dimethyl isosorbide 102.3
    tetrachloroethylene 53.94
    eugenol 48.63
    triacetin 47.11
    span 80 36.76
    1,4-butanediol 12.33
    1,1-dichloroethane 37.87
    2-methyl-1-pentanol 26.63
    methyl formate 69.82
    2-methyl-1-butanol 25.97
    n-decane 0.65
    butyronitrile 25.75
    3,7-dimethyl-1-octanol 14.11
    1-chlorooctane 5.36
    1-chlorotetradecane 2.36
    n-nonane 0.48
    undecane 0.52
    tert-butylcyclohexane 0.86
    cyclooctane 0.15
    cyclopentanol 32.03
    tetrahydropyran 44.19
    tert-amyl methyl ether 24.72
    2,5,8-trioxanonane 94.31
    1-hexene 2.38
    2-isopropoxyethanol 48.88
    2,2,2-trifluoroethanol 21.02
    methyl butyrate 50.98

    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