Edulisin IV

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  • Identifiers

    CAS number
    158446-38-9

    Molecular formula
    C19H20O7

    SMILES
    CCC(=O)O[C@H]1[C@H](OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 58.77%
    Odorless 35.85%
    Berry 34.73%
    Floral 31.43%
    Grape 30.18%
    Caramellic 25.06%
    Sweet 23.78%
    Powdery 23.02%
    Creamy 22.88%
    Strawberry 21.41%

     

    Flavor
    Bitter 79.98%
    Fruity 30.47%
    Odorless 22.26%
    Bland 19.8%
    Mild 19.62%
    Orange blossom 19.16%
    Aniseed 19.11%
    Orange flower 19.09%
    Cedarleaf 19.01%
    Parsley 18.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.11 (neutral)

    Molecular weight
    360.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    400°C

    Flash point

    • 227.25 ˚C est.

  • Synonyms

    • Edulisin IV
    • RefChem:920842
    • ((8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro(2,3-h)chromen-9-yl) propanoate
    • SCHEMBL29934576
    • CHEBI:175620
    • DTXSID801112745
    • [(8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] propanoate
    • (8S,9R)-8-[1-(Acetyloxy)-1-methylethyl]-8,9-dihydro-9-(1-oxopropoxy)-2H-furo[2,3-h]-1-benzopyran-2-one
    • (8S,9R)-8-[2-(Acetyloxy)propan-2-yl]-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-9-yl propanoate
    • 158446-38-9
    • 158446-38-9

  • Applications

    Edulisin IV (CAS 158446-38-9) has industrial applications primarily as a solvent and processing additive for polymer and coating systems, and as an intermediate in organic synthesis. In the field of polymers and coatings, it can be used as a processing component to improve mixing and properties of the polymer system; additionally, it may serve as a co-solvent in cleaning formulations and other industrial applications. These applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 78.8
    methanol 178.21
    isopropanol 38.29
    water 2.71
    ethyl acetate 275.22
    n-propanol 64.07
    acetone 505.39
    n-butanol 40.04
    acetonitrile 242.19
    DMF 1407.98
    toluene 62.6
    isobutanol 45.33
    1,4-dioxane 418.03
    methyl acetate 361.14
    THF 606.81
    2-butanone 269.12
    n-pentanol 40.38
    sec-butanol 38.66
    n-hexane 1.32
    ethylene glycol 72.97
    NMP 1770.57
    cyclohexane 1.89
    DMSO 865.47
    n-butyl acetate 80.68
    n-octanol 19.54
    chloroform 465.02
    n-propyl acetate 149.46
    acetic acid 815.43
    dichloromethane 568.17
    cyclohexanone 395.71
    propylene glycol 60.45
    isopropyl acetate 129.28
    DMAc 1411.99
    2-ethoxyethanol 225.72
    isopentanol 38.05
    n-heptane 0.86
    ethyl formate 186.79
    1,2-dichloroethane 310.52
    n-hexanol 16.43
    2-methoxyethanol 400.66
    isobutyl acetate 91.93
    tetrachloromethane 22.74
    n-pentyl acetate 69.46
    transcutol 496.67
    n-heptanol 16.83
    ethylbenzene 27.75
    MIBK 82.08
    2-propoxyethanol 197.03
    tert-butanol 42.04
    MTBE 42.48
    2-butoxyethanol 100.75
    propionic acid 269.91
    o-xylene 38.42
    formic acid 550.14
    diethyl ether 61.1
    m-xylene 37.74
    p-xylene 46.97
    chlorobenzene 129.29
    dimethyl carbonate 433.2
    n-octane 0.68
    formamide 695.49
    cyclopentanone 686.55
    2-pentanone 167.83
    anisole 131.1
    cyclopentyl methyl ether 170.44
    gamma-butyrolactone 1236.33
    1-methoxy-2-propanol 230.12
    pyridine 376.11
    3-pentanone 167.22
    furfural 836.69
    n-dodecane 1.06
    diethylene glycol 222.05
    diisopropyl ether 13.54
    tert-amyl alcohol 38.76
    acetylacetone 385.64
    n-hexadecane 1.29
    acetophenone 206.66
    methyl propionate 369.43
    isopentyl acetate 75.58
    trichloroethylene 781.19
    n-nonanol 21.75
    cyclohexanol 57.19
    benzyl alcohol 138.92
    2-ethylhexanol 16.73
    isooctanol 17.25
    dipropyl ether 31.96
    1,2-dichlorobenzene 135.17
    ethyl lactate 112.28
    propylene carbonate 476.06
    n-methylformamide 666.72
    2-pentanol 21.2
    n-pentane 0.92
    1-propoxy-2-propanol 102.98
    1-methoxy-2-propyl acetate 173.06
    2-(2-methoxypropoxy) propanol 150.4
    mesitylene 16.99
    ε-caprolactone 448.33
    p-cymene 15.11
    epichlorohydrin 846.72
    1,1,1-trichloroethane 168.34
    2-aminoethanol 102.73
    morpholine-4-carbaldehyde 1243.25
    sulfolane 1212.41
    2,2,4-trimethylpentane 1.14
    2-methyltetrahydrofuran 254.43
    n-hexyl acetate 86.32
    isooctane 0.63
    2-(2-butoxyethoxy)ethanol 161.37
    sec-butyl acetate 86.88
    tert-butyl acetate 103.69
    decalin 2.55
    glycerin 172.41
    diglyme 330.09
    acrylic acid 396.4
    isopropyl myristate 34.98
    n-butyric acid 199.99
    acetyl acetate 270.69
    di(2-ethylhexyl) phthalate 60.19
    ethyl propionate 162.03
    nitromethane 1795.3
    1,2-diethoxyethane 117.35
    benzonitrile 159.74
    trioctyl phosphate 32.36
    1-bromopropane 66.52
    gamma-valerolactone 1151.88
    n-decanol 16.27
    triethyl phosphate 63.79
    4-methyl-2-pentanol 16.2
    propionitrile 132.8
    vinylene carbonate 557.89
    1,1,2-trichlorotrifluoroethane 592.02
    DMS 245.5
    cumene 18.74
    2-octanol 12.43
    2-hexanone 109.29
    octyl acetate 48.49
    limonene 18.78
    1,2-dimethoxyethane 338.83
    ethyl orthosilicate 53.55
    tributyl phosphate 48.4
    diacetone alcohol 133.46
    N,N-dimethylaniline 95.57
    acrylonitrile 298.52
    aniline 131.96
    1,3-propanediol 110.71
    bromobenzene 118.28
    dibromomethane 215.88
    1,1,2,2-tetrachloroethane 444.67
    2-methyl-cyclohexyl acetate 78.05
    tetrabutyl urea 74.71
    diisobutyl methanol 11.53
    2-phenylethanol 84.26
    styrene 39.35
    dioctyl adipate 79.06
    dimethyl sulfate 731.74
    ethyl butyrate 88.43
    methyl lactate 256.65
    butyl lactate 75.93
    diethyl carbonate 76.36
    propanediol butyl ether 96.95
    triethyl orthoformate 69.17
    p-tert-butyltoluene 13.89
    methyl 4-tert-butylbenzoate 128.66
    morpholine 442.46
    tert-butylamine 14.53
    n-dodecanol 12.22
    dimethoxymethane 593.84
    ethylene carbonate 417.45
    cyrene 256.73
    2-ethoxyethyl acetate 166.89
    2-ethylhexyl acetate 59.88
    1,2,4-trichlorobenzene 213.97
    4-methylpyridine 371.7
    dibutyl ether 27.13
    2,6-dimethyl-4-heptanol 11.53
    DEF 342.76
    dimethyl isosorbide 274.64
    tetrachloroethylene 224.66
    eugenol 132.3
    triacetin 209.06
    span 80 99.82
    1,4-butanediol 58.12
    1,1-dichloroethane 207.23
    2-methyl-1-pentanol 40.5
    methyl formate 650.91
    2-methyl-1-butanol 42.61
    n-decane 1.62
    butyronitrile 79.51
    3,7-dimethyl-1-octanol 22.3
    1-chlorooctane 10.57
    1-chlorotetradecane 5.33
    n-nonane 1.25
    undecane 1.29
    tert-butylcyclohexane 1.88
    cyclooctane 0.76
    cyclopentanol 99.04
    tetrahydropyran 156.02
    tert-amyl methyl ether 44.17
    2,5,8-trioxanonane 253.32
    1-hexene 8.22
    2-isopropoxyethanol 131.86
    2,2,2-trifluoroethanol 380.68
    methyl butyrate 186.9

    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