4beta-(Isobutyryloxy)-3,4abeta,5beta-trimethyl-4,4a,5,6-tetrahydronaphtho[2,3-b]furan-9(7H)-one

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  • Identifiers

    CAS number
    18883-09-5

    Molecular formula
    C19H24O4

    SMILES
    C[C@H]1CCC=C2[C@@]1([C@@H](C3=C(C2=O)OC=C3C)OC(=O)C(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 55.24%
    Berry 29.54%
    Mint 28.81%
    Woody 28.42%
    Sweet 26.85%
    Caramellic 25.93%
    Herbal 25.05%
    Dry 23.43%
    Tobacco 21.94%
    Odorless 20.76%

     

    Flavor
    Bitter 84.71%
    Cedarleaf 21.69%
    Bland 21.26%
    Parsley 20.85%
    Ripe apricot 20.08%
    Odorless 20.07%
    Lovage 19.9%
    Red fruit 19.89%
    Heather 19.85%
    Broom 19.7%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    6.47 (neutral)

    Molecular weight
    316.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    392°C

    Flash point

    • 199.7 ˚C est.

  • Synonyms

    • 18883-09-5
    • 4beta-(Isobutyryloxy)-3,4abeta,5beta-trimethyl-4,4a,5,6-tetrahydronaphtho[2,3-b]furan-9(7H)-one
    • [(4S,4aR,5S)-3,4a,5-trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl] 2-methylpropanoate
    • 18883-09-5

  • Applications

    This compound, 4beta-(Isobutyryloxy)-3,4abeta,5beta-trimethyl-4,4a,5,6-tetrahydronaphtho[2,3-b]furan-9(7H)-one (CAS 18883-09-5), is primarily used as a chemical intermediate and fragrance ingredient in industrial perfumery and cosmetics; it can function as an aroma constituent or a fragrance fixative due to its polycyclic lactone framework and the isobutyryloxy ester; it is also commonly evaluated as an aroma intermediate in flavor formulations for foods and beverages; it is used in household and cleaning products as a scent component; in industrial manufacturing, it serves as an intermediate in the synthesis of more complex fragrance materials or specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 85.07
    methanol 61.66
    isopropanol 95.88
    water 0.06
    ethyl acetate 157.05
    n-propanol 127.5
    acetone 201.27
    n-butanol 143.7
    acetonitrile 51.47
    DMF 375.66
    toluene 485.0
    isobutanol 130.17
    1,4-dioxane 348.62
    methyl acetate 184.31
    THF 495.87
    2-butanone 354.11
    n-pentanol 113.68
    sec-butanol 140.98
    n-hexane 9.76
    ethylene glycol 9.15
    NMP 443.77
    cyclohexane 38.62
    DMSO 104.19
    n-butyl acetate 180.97
    n-octanol 53.2
    chloroform 581.33
    n-propyl acetate 132.53
    acetic acid 101.75
    dichloromethane 438.17
    cyclohexanone 578.05
    propylene glycol 18.5
    isopropyl acetate 144.87
    DMAc 449.15
    2-ethoxyethanol 128.65
    isopentanol 156.0
    n-heptane 5.1
    ethyl formate 94.08
    1,2-dichloroethane 333.36
    n-hexanol 144.78
    2-methoxyethanol 157.83
    isobutyl acetate 134.79
    tetrachloromethane 77.56
    n-pentyl acetate 168.51
    transcutol 264.47
    n-heptanol 85.22
    ethylbenzene 163.71
    MIBK 168.93
    2-propoxyethanol 208.54
    tert-butanol 104.26
    MTBE 137.88
    2-butoxyethanol 153.52
    propionic acid 91.98
    o-xylene 209.5
    formic acid 23.9
    diethyl ether 138.94
    m-xylene 218.64
    p-xylene 238.81
    chlorobenzene 349.44
    dimethyl carbonate 88.46
    n-octane 4.0
    formamide 50.45
    cyclopentanone 500.21
    2-pentanone 247.87
    anisole 183.63
    cyclopentyl methyl ether 276.51
    gamma-butyrolactone 354.76
    1-methoxy-2-propanol 147.93
    pyridine 535.99
    3-pentanone 225.6
    furfural 338.1
    n-dodecane 4.08
    diethylene glycol 101.97
    diisopropyl ether 52.68
    tert-amyl alcohol 134.26
    acetylacetone 212.16
    n-hexadecane 5.1
    acetophenone 217.36
    methyl propionate 168.53
    isopentyl acetate 214.69
    trichloroethylene 655.15
    n-nonanol 57.17
    cyclohexanol 230.06
    benzyl alcohol 220.08
    2-ethylhexanol 90.72
    isooctanol 79.61
    dipropyl ether 51.96
    1,2-dichlorobenzene 261.57
    ethyl lactate 56.07
    propylene carbonate 206.39
    n-methylformamide 114.44
    2-pentanol 114.25
    n-pentane 11.6
    1-propoxy-2-propanol 126.87
    1-methoxy-2-propyl acetate 173.44
    2-(2-methoxypropoxy) propanol 120.81
    mesitylene 108.09
    ε-caprolactone 411.86
    p-cymene 65.21
    epichlorohydrin 479.87
    1,1,1-trichloroethane 303.59
    2-aminoethanol 32.2
    morpholine-4-carbaldehyde 416.51
    sulfolane 299.13
    2,2,4-trimethylpentane 12.29
    2-methyltetrahydrofuran 359.23
    n-hexyl acetate 170.18
    isooctane 8.69
    2-(2-butoxyethoxy)ethanol 148.26
    sec-butyl acetate 125.69
    tert-butyl acetate 143.8
    decalin 24.06
    glycerin 32.56
    diglyme 254.71
    acrylic acid 82.96
    isopropyl myristate 63.68
    n-butyric acid 158.24
    acetyl acetate 111.87
    di(2-ethylhexyl) phthalate 86.34
    ethyl propionate 105.15
    nitromethane 142.54
    1,2-diethoxyethane 133.04
    benzonitrile 220.85
    trioctyl phosphate 54.24
    1-bromopropane 199.74
    gamma-valerolactone 593.74
    n-decanol 40.32
    triethyl phosphate 64.25
    4-methyl-2-pentanol 78.7
    propionitrile 102.58
    vinylene carbonate 213.91
    1,1,2-trichlorotrifluoroethane 210.99
    DMS 162.49
    cumene 91.58
    2-octanol 63.17
    2-hexanone 175.26
    octyl acetate 80.65
    limonene 75.57
    1,2-dimethoxyethane 231.07
    ethyl orthosilicate 67.45
    tributyl phosphate 62.97
    diacetone alcohol 146.48
    N,N-dimethylaniline 129.05
    acrylonitrile 122.34
    aniline 318.22
    1,3-propanediol 77.16
    bromobenzene 356.9
    dibromomethane 306.25
    1,1,2,2-tetrachloroethane 527.76
    2-methyl-cyclohexyl acetate 131.99
    tetrabutyl urea 83.75
    diisobutyl methanol 48.46
    2-phenylethanol 212.25
    styrene 184.42
    dioctyl adipate 85.83
    dimethyl sulfate 113.38
    ethyl butyrate 98.5
    methyl lactate 65.09
    butyl lactate 102.52
    diethyl carbonate 71.1
    propanediol butyl ether 90.39
    triethyl orthoformate 84.39
    p-tert-butyltoluene 60.15
    methyl 4-tert-butylbenzoate 142.45
    morpholine 403.19
    tert-butylamine 64.03
    n-dodecanol 29.91
    dimethoxymethane 206.99
    ethylene carbonate 181.04
    cyrene 177.62
    2-ethoxyethyl acetate 203.41
    2-ethylhexyl acetate 184.65
    1,2,4-trichlorobenzene 315.83
    4-methylpyridine 642.7
    dibutyl ether 55.81
    2,6-dimethyl-4-heptanol 48.46
    DEF 264.06
    dimethyl isosorbide 208.13
    tetrachloroethylene 336.29
    eugenol 144.58
    triacetin 128.58
    span 80 103.37
    1,4-butanediol 37.61
    1,1-dichloroethane 303.55
    2-methyl-1-pentanol 155.89
    methyl formate 89.22
    2-methyl-1-butanol 172.51
    n-decane 6.63
    butyronitrile 115.18
    3,7-dimethyl-1-octanol 68.0
    1-chlorooctane 39.94
    1-chlorotetradecane 17.69
    n-nonane 4.97
    undecane 5.01
    tert-butylcyclohexane 17.48
    cyclooctane 11.97
    cyclopentanol 176.25
    tetrahydropyran 388.0
    tert-amyl methyl ether 120.35
    2,5,8-trioxanonane 164.92
    1-hexene 55.3
    2-isopropoxyethanol 119.39
    2,2,2-trifluoroethanol 40.95
    methyl butyrate 148.41

    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