2,2,5a,8a-Tetramethyldecahydro-2H-naphtho[1,8-bc]furan

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  • Identifiers

    CAS number
    53625-18-6

    Molecular formula
    C15H26O

    SMILES
    C[C@@]12CCC[C@H]3C1[C@@](CCC2)(OC3(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 75.59%
    Amber 55.58%
    Dry 50.44%
    Spicy 46.91%
    Cedar 43.46%
    Musk 41.81%
    Earthy 37.41%
    Green 36.76%
    Fresh 33.32%
    Camphoreous 32.75%

     

    Flavor
    Sweet 68.35%
    Camphor 43.63%
    Dry 43.25%
    Woody 41.32%
    Pine 40.97%
    Herbal 37.9%
    Earthy 36.86%
    Fresh 28.71%
    Mint 27.9%
    Old paper 27.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.34 (weak base)

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    277°C

    Flash point

    • 148.69 ˚C est.

  • Synonyms

    • 53625-18-6
    • (1R,4S,8S)-1,3,3,8-Tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecane
    • 2H-Naphtho(1,8-bc)furan, decahydro-2,2,5a,8a-tetramethyl-, (2aS-(2aalpha,5aalpha,8aalpha,8bbeta))-
    • 2,2,5a,8a-Tetramethyldecahydro-2H-naphtho[1,8-bc]furan
    • DTXSID80968396
    • (2aS,5aS,8aR)-2,2,5a,8a-Tetramethyldecahydro-2H-naphtho[1,8-bc]furan
    • 53625-18-6

  • Applications

    2,2,5a,8a-Tetramethyldecahydro-2H-naphtho[1,8-bc]furan (CAS 53625-18-6) may be used as a fragrance ingredient in perfumery and cosmetics, functioning as an odorant and potentially as a perfume fixative; it is also considered as a building block or intermediate for the synthesis of specialty fragrance and flavor compounds in the chemical industry; in household cleaners and personal care products, it may be added to enhance scent experience; in the plastics, coatings and inks sectors, it can serve as an aroma-related additive or intermediate for scent-release formulations; additionally, it could be evaluated for other bespoke fragrance-related applications in industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 407.94
    methanol 422.73
    isopropanol 415.78
    water 4.88
    ethyl acetate 1129.08
    n-propanol 521.31
    acetone 1111.68
    n-butanol 540.91
    acetonitrile 818.32
    DMF 1193.3
    toluene 1415.57
    isobutanol 506.43
    1,4-dioxane 1807.07
    methyl acetate 1044.82
    THF 2703.07
    2-butanone 1044.59
    n-pentanol 355.42
    sec-butanol 427.53
    n-hexane 286.6
    ethylene glycol 133.15
    NMP 1446.77
    cyclohexane 624.81
    DMSO 689.14
    n-butyl acetate 990.93
    n-octanol 452.06
    chloroform 2921.43
    n-propyl acetate 696.86
    acetic acid 451.6
    dichloromethane 2290.25
    cyclohexanone 2117.55
    propylene glycol 170.16
    isopropyl acetate 953.81
    DMAc 1032.16
    2-ethoxyethanol 451.29
    isopentanol 546.85
    n-heptane 263.13
    ethyl formate 617.77
    1,2-dichloroethane 1396.67
    n-hexanol 744.25
    2-methoxyethanol 739.53
    isobutyl acetate 653.95
    tetrachloromethane 708.39
    n-pentyl acetate 757.86
    transcutol 1129.42
    n-heptanol 412.06
    ethylbenzene 617.4
    MIBK 855.93
    2-propoxyethanol 1036.41
    tert-butanol 484.12
    MTBE 840.51
    2-butoxyethanol 557.75
    propionic acid 576.36
    o-xylene 797.64
    formic acid 145.44
    diethyl ether 1033.13
    m-xylene 1037.14
    p-xylene 760.06
    chlorobenzene 1302.83
    dimethyl carbonate 623.73
    n-octane 129.63
    formamide 187.88
    cyclopentanone 2247.34
    2-pentanone 1052.22
    anisole 761.1
    cyclopentyl methyl ether 1751.83
    gamma-butyrolactone 2328.35
    1-methoxy-2-propanol 718.47
    pyridine 1441.92
    3-pentanone 943.24
    furfural 1490.49
    n-dodecane 93.28
    diethylene glycol 592.1
    diisopropyl ether 545.92
    tert-amyl alcohol 431.36
    acetylacetone 1238.74
    n-hexadecane 112.79
    acetophenone 662.38
    methyl propionate 1003.83
    isopentyl acetate 968.67
    trichloroethylene 2376.31
    n-nonanol 391.19
    cyclohexanol 909.64
    benzyl alcohol 493.15
    2-ethylhexanol 524.8
    isooctanol 359.07
    dipropyl ether 681.65
    1,2-dichlorobenzene 1071.98
    ethyl lactate 359.64
    propylene carbonate 1344.23
    n-methylformamide 588.43
    2-pentanol 447.98
    n-pentane 278.77
    1-propoxy-2-propanol 717.5
    1-methoxy-2-propyl acetate 1055.51
    2-(2-methoxypropoxy) propanol 487.66
    mesitylene 716.07
    ε-caprolactone 1728.86
    p-cymene 413.79
    epichlorohydrin 1983.12
    1,1,1-trichloroethane 1703.66
    2-aminoethanol 223.3
    morpholine-4-carbaldehyde 1428.65
    sulfolane 1905.54
    2,2,4-trimethylpentane 164.42
    2-methyltetrahydrofuran 1847.52
    n-hexyl acetate 1064.72
    isooctane 155.59
    2-(2-butoxyethoxy)ethanol 594.6
    sec-butyl acetate 617.32
    tert-butyl acetate 990.04
    decalin 278.34
    glycerin 268.94
    diglyme 1135.7
    acrylic acid 488.53
    isopropyl myristate 432.22
    n-butyric acid 788.78
    acetyl acetate 908.24
    di(2-ethylhexyl) phthalate 320.74
    ethyl propionate 702.86
    nitromethane 1002.02
    1,2-diethoxyethane 708.97
    benzonitrile 889.89
    trioctyl phosphate 285.82
    1-bromopropane 1060.83
    gamma-valerolactone 2312.07
    n-decanol 280.46
    triethyl phosphate 367.6
    4-methyl-2-pentanol 370.37
    propionitrile 772.78
    vinylene carbonate 1198.74
    1,1,2-trichlorotrifluoroethane 945.37
    DMS 985.82
    cumene 439.88
    2-octanol 339.93
    2-hexanone 686.23
    octyl acetate 501.42
    limonene 567.15
    1,2-dimethoxyethane 965.2
    ethyl orthosilicate 351.57
    tributyl phosphate 344.85
    diacetone alcohol 682.72
    N,N-dimethylaniline 520.91
    acrylonitrile 864.9
    aniline 816.3
    1,3-propanediol 366.98
    bromobenzene 1549.19
    dibromomethane 1675.88
    1,1,2,2-tetrachloroethane 1923.14
    2-methyl-cyclohexyl acetate 600.9
    tetrabutyl urea 399.09
    diisobutyl methanol 331.53
    2-phenylethanol 652.55
    styrene 686.7
    dioctyl adipate 478.2
    dimethyl sulfate 794.42
    ethyl butyrate 653.5
    methyl lactate 446.4
    butyl lactate 463.1
    diethyl carbonate 464.57
    propanediol butyl ether 445.07
    triethyl orthoformate 526.79
    p-tert-butyltoluene 416.85
    methyl 4-tert-butylbenzoate 667.06
    morpholine 1550.07
    tert-butylamine 404.2
    n-dodecanol 218.08
    dimethoxymethane 1177.62
    ethylene carbonate 1172.14
    cyrene 492.19
    2-ethoxyethyl acetate 836.47
    2-ethylhexyl acetate 888.78
    1,2,4-trichlorobenzene 1175.76
    4-methylpyridine 1556.93
    dibutyl ether 575.06
    2,6-dimethyl-4-heptanol 331.53
    DEF 952.6
    dimethyl isosorbide 903.47
    tetrachloroethylene 1368.12
    eugenol 514.77
    triacetin 794.09
    span 80 443.1
    1,4-butanediol 169.31
    1,1-dichloroethane 1507.02
    2-methyl-1-pentanol 362.25
    methyl formate 627.78
    2-methyl-1-butanol 517.42
    n-decane 164.96
    butyronitrile 738.85
    3,7-dimethyl-1-octanol 415.0
    1-chlorooctane 478.78
    1-chlorotetradecane 196.42
    n-nonane 176.63
    undecane 119.78
    tert-butylcyclohexane 234.49
    cyclooctane 329.44
    cyclopentanol 872.75
    tetrahydropyran 1940.97
    tert-amyl methyl ether 688.29
    2,5,8-trioxanonane 716.87
    1-hexene 506.51
    2-isopropoxyethanol 405.98
    2,2,2-trifluoroethanol 300.44
    methyl butyrate 786.73

    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