Naphtho(1,2-c)furan-1(3H)-one, 4,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, trans-

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  • Identifiers

    CAS number
    1684-54-4

    Molecular formula
    C15H22O2

    SMILES
    C[C@]12CCCC([C@@H]1CCC3=C2C(=O)OC3)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 80.44%
    Amber 58.48%
    Musk 58.4%
    Dry 52.22%
    Cedar 49.13%
    Tobacco 43.28%
    Powdery 42.85%
    Spicy 34.82%
    Orris 32.81%
    Animal 32.75%

     

    Flavor
    Woody 39.64%
    Camphor 31.8%
    Bitter 29.67%
    Musk 26.19%
    Ripe apricot 24.83%
    Red fruit 24.43%
    Spicy 23.37%
    Fresh 23.32%
    Coumarin 23.18%
    Herbal 22.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.09 (weak base)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    384°C

    Flash point

    • 182.04 ˚C est.

  • Synonyms

    • Isodrimenin
    • (+)-Isodrimenin
    • 1684-54-4
    • 4,5,5a,6,7,8,9,9a-Octahydro-6,6,9a-trimethylnaphtho(1,2-c)furan-1(3H)-one trans-
    • Naphtho(1,2-c)furan-1(3H)-one, 4,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, trans-
    • MEGPFBRAROUGQD-NHYWBVRUSA-
    • DTXSID30168561
    • (5aS,9aS)-6,6,9a-Trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-1(3H)-one
    • InChI=1/C15H22O2/c1-14(2)7-4-8-15(3)11(14)6-5-10-9-17-13(16)12(10)15/h11H,4-9H2,1-3H3/t11-,15-/m0/s1
    • 1684-54-4

  • Applications

    Naphtho(1,2-c)furan-1(3H)-one, 4,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, trans- (CAS 1684-54-4) is primarily encountered as a fragrance-related compound and synthetic-building block. In practice, it may be used as an odorant/fragrance ingredient in perfumery and personal care products, and as a chiral intermediate in pharmaceutical and agrochemical synthesis. It can also appear as a fragrance additive in household cleaners and other consumer products. In industrial settings, it may be evaluated for further chemical transformations or as a component in coatings/inks formulations where odor control or signature is desired. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 57.25
    methanol 74.53
    isopropanol 53.0
    water 0.36
    ethyl acetate 149.5
    n-propanol 60.86
    acetone 212.44
    n-butanol 63.94
    acetonitrile 160.19
    DMF 485.45
    toluene 264.11
    isobutanol 49.77
    1,4-dioxane 396.39
    methyl acetate 167.53
    THF 744.15
    2-butanone 171.55
    n-pentanol 31.13
    sec-butanol 32.09
    n-hexane 1.7
    ethylene glycol 16.36
    NMP 533.64
    cyclohexane 12.0
    DMSO 130.35
    n-butyl acetate 141.39
    n-octanol 29.02
    chloroform 843.77
    n-propyl acetate 87.96
    acetic acid 119.13
    dichloromethane 726.81
    cyclohexanone 458.06
    propylene glycol 19.95
    isopropyl acetate 117.35
    DMAc 240.78
    2-ethoxyethanol 52.61
    isopentanol 61.18
    n-heptane 3.3
    ethyl formate 147.98
    1,2-dichloroethane 359.82
    n-hexanol 71.57
    2-methoxyethanol 142.86
    isobutyl acetate 76.75
    tetrachloromethane 75.13
    n-pentyl acetate 95.71
    transcutol 236.0
    n-heptanol 33.96
    ethylbenzene 51.81
    MIBK 108.75
    2-propoxyethanol 173.42
    tert-butanol 61.59
    MTBE 47.8
    2-butoxyethanol 81.64
    propionic acid 90.65
    o-xylene 103.36
    formic acid 48.67
    diethyl ether 57.42
    m-xylene 149.98
    p-xylene 82.74
    chlorobenzene 391.43
    dimethyl carbonate 107.6
    n-octane 1.72
    formamide 83.54
    cyclopentanone 635.27
    2-pentanone 144.97
    anisole 124.52
    cyclopentyl methyl ether 197.34
    gamma-butyrolactone 707.46
    1-methoxy-2-propanol 122.41
    pyridine 550.88
    3-pentanone 108.47
    furfural 588.42
    n-dodecane 2.3
    diethylene glycol 117.81
    diisopropyl ether 23.94
    tert-amyl alcohol 32.65
    acetylacetone 227.32
    n-hexadecane 2.9
    acetophenone 145.76
    methyl propionate 137.9
    isopentyl acetate 141.05
    trichloroethylene 896.82
    n-nonanol 29.67
    cyclohexanol 89.97
    benzyl alcohol 110.13
    2-ethylhexanol 41.56
    isooctanol 30.33
    dipropyl ether 39.32
    1,2-dichlorobenzene 307.32
    ethyl lactate 52.55
    propylene carbonate 353.1
    n-methylformamide 196.31
    2-pentanol 34.21
    n-pentane 2.95
    1-propoxy-2-propanol 103.01
    1-methoxy-2-propyl acetate 183.56
    2-(2-methoxypropoxy) propanol 95.39
    mesitylene 77.6
    ε-caprolactone 356.2
    p-cymene 49.53
    epichlorohydrin 700.51
    1,1,1-trichloroethane 310.59
    2-aminoethanol 35.41
    morpholine-4-carbaldehyde 471.46
    sulfolane 462.94
    2,2,4-trimethylpentane 2.82
    2-methyltetrahydrofuran 286.69
    n-hexyl acetate 119.05
    isooctane 3.35
    2-(2-butoxyethoxy)ethanol 111.2
    sec-butyl acetate 67.67
    tert-butyl acetate 120.57
    decalin 6.98
    glycerin 42.27
    diglyme 218.63
    acrylic acid 109.92
    isopropyl myristate 48.83
    n-butyric acid 152.34
    acetyl acetate 152.28
    di(2-ethylhexyl) phthalate 70.76
    ethyl propionate 81.59
    nitromethane 311.97
    1,2-diethoxyethane 86.09
    benzonitrile 270.5
    trioctyl phosphate 45.36
    1-bromopropane 115.48
    gamma-valerolactone 760.62
    n-decanol 22.44
    triethyl phosphate 57.73
    4-methyl-2-pentanol 29.7
    propionitrile 143.9
    vinylene carbonate 390.54
    1,1,2-trichlorotrifluoroethane 241.08
    DMS 164.6
    cumene 37.1
    2-octanol 22.33
    2-hexanone 78.12
    octyl acetate 61.42
    limonene 58.9
    1,2-dimethoxyethane 130.72
    ethyl orthosilicate 51.65
    tributyl phosphate 56.65
    diacetone alcohol 116.97
    N,N-dimethylaniline 71.72
    acrylonitrile 226.25
    aniline 202.01
    1,3-propanediol 67.01
    bromobenzene 446.89
    dibromomethane 356.01
    1,1,2,2-tetrachloroethane 515.7
    2-methyl-cyclohexyl acetate 105.18
    tetrabutyl urea 71.37
    diisobutyl methanol 29.21
    2-phenylethanol 158.02
    styrene 71.08
    dioctyl adipate 80.07
    dimethyl sulfate 151.46
    ethyl butyrate 90.78
    methyl lactate 76.6
    butyl lactate 80.7
    diethyl carbonate 76.69
    propanediol butyl ether 62.83
    triethyl orthoformate 73.62
    p-tert-butyltoluene 48.08
    methyl 4-tert-butylbenzoate 133.17
    morpholine 353.9
    tert-butylamine 33.48
    n-dodecanol 17.15
    dimethoxymethane 252.63
    ethylene carbonate 295.52
    cyrene 135.98
    2-ethoxyethyl acetate 157.4
    2-ethylhexyl acetate 111.75
    1,2,4-trichlorobenzene 340.56
    4-methylpyridine 497.49
    dibutyl ether 31.81
    2,6-dimethyl-4-heptanol 29.21
    DEF 161.12
    dimethyl isosorbide 253.69
    tetrachloroethylene 298.52
    eugenol 124.79
    triacetin 132.56
    span 80 88.15
    1,4-butanediol 20.47
    1,1-dichloroethane 304.81
    2-methyl-1-pentanol 34.1
    methyl formate 190.47
    2-methyl-1-butanol 44.97
    n-decane 3.6
    butyronitrile 144.0
    3,7-dimethyl-1-octanol 36.06
    1-chlorooctane 25.12
    1-chlorotetradecane 11.01
    n-nonane 2.69
    undecane 2.83
    tert-butylcyclohexane 5.29
    cyclooctane 3.91
    cyclopentanol 118.4
    tetrahydropyran 268.08
    tert-amyl methyl ether 32.43
    2,5,8-trioxanonane 157.03
    1-hexene 10.51
    2-isopropoxyethanol 44.99
    2,2,2-trifluoroethanol 66.84
    methyl butyrate 107.88

    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