5H-3,5a-Epoxynaphth[2,1-c]oxepin, dodecahydro-3,8,8,11a-tetramethyl-

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  • Identifiers

    CAS number
    57345-19-4

    Molecular formula
    C18H30O2

    SMILES
    CC1(CCCC2(C1CCC34C2CCC(O3)(OC4)C)C)C

  • Odor profile

    Fragrance
    Woody 87.63%
    Amber 72.64%
    Dry 62.7%
    Musk 59.45%
    Cedar 57.01%
    Vetiver 37.97%
    Spicy 36.06%
    Animal 35.88%
    Tobacco 34.5%
    Powdery 34.33%

     

    Flavor
    Earthy 46.12%
    Sweet 42.38%
    Camphor 35.01%
    Earth 34.42%
    Green 33.43%
    Woody 30.5%
    Pine 30.05%
    Spicy 29.37%
    Dry 28.83%
    Herbal 28.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    8.15 (weak base)

    Molecular weight
    278.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    352°C

    Flash point

    • 149.4 ˚C est.

  • Synonyms

    • 57345-19-4
    • 5H-3,5a-Epoxynaphth[2,1-c]oxepin, dodecahydro-3,8,8,11a-tetramethyl-
    • EINECS 260-686-4
    • dodecahydro-3,8,8,11a-tetramethyl-5H-3,5a-epoxynaphth[2,1-c]oxepin
    • DTXSID3041538
    • Dodecahydro-3,8,8,11a-tetramethyl-5H-3,5a-epoxynaphth(2,1-c)oxepin
    • 5,5,9,13-tetramethyl-14,16-dioxatetracyclo[11.2.1.01,10.04,9]hexadecane
    • 5H-3,5a-Epoxynaphth(2,1-c)oxepin, dodecahydro-3,8,8,11a-tetramethyl-
    • SCHEMBL1792596
    • DTXCID1021538
    • NS00012349
    • 15,16-Dinorlabdane, 8,13:13,20-diepoxy-, (13S)-
    • 260-686-4
    • 5H-3,5a-Epoxynaphth[2,1-c]oxepin, dodecahydro-3,8,8,11a-tetramethyl-, [3S-(3.alpha.,5a.alpha.,7a.alpha.,11a.beta.,11b.alpha.)]-
    • Amberketal
    • Z11 HD

  • Applications

    5H-3,5a-Epoxynaphth[2,1-c]oxepin, dodecahydro-3,8,8,11a-tetramethyl- (CAS 57345-19-4) is typically considered a synthetic intermediate and structural scaffold in specialty chemical synthesis. It may be used as a precursor for more complex aromatic and alicyclic compounds and as a basis for advanced polymers or resin systems. In perfumery and cosmetics, it may be evaluated as a fragrance component or odorant to contribute to distinctive scent profiles. In household products, coatings, and inks, it could serve as an aroma ingredient or a high-value intermediate for formulation. In pharmaceutical or agrochemical research, it may be explored as a starting material for the synthesis of candidate drugs or agrochemicals, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 177.08
    methanol 177.29
    isopropanol 158.7
    water 4.57
    ethyl acetate 606.15
    n-propanol 230.58
    acetone 553.06
    n-butanol 221.19
    acetonitrile 525.48
    DMF 657.49
    toluene 900.47
    isobutanol 197.78
    1,4-dioxane 946.88
    methyl acetate 505.87
    THF 1435.05
    2-butanone 495.48
    n-pentanol 118.54
    sec-butanol 131.14
    n-hexane 25.65
    ethylene glycol 50.81
    NMP 834.85
    cyclohexane 127.1
    DMSO 325.18
    n-butyl acetate 414.5
    n-octanol 112.69
    chloroform 1900.51
    n-propyl acetate 303.54
    acetic acid 350.92
    dichloromethane 1446.9
    cyclohexanone 1011.01
    propylene glycol 59.92
    isopropyl acetate 481.16
    DMAc 598.06
    2-ethoxyethanol 191.08
    isopentanol 206.64
    n-heptane 28.99
    ethyl formate 327.74
    1,2-dichloroethane 748.8
    n-hexanol 222.04
    2-methoxyethanol 361.75
    isobutyl acetate 278.3
    tetrachloromethane 291.92
    n-pentyl acetate 313.3
    transcutol 763.63
    n-heptanol 129.85
    ethylbenzene 244.89
    MIBK 346.22
    2-propoxyethanol 436.64
    tert-butanol 152.63
    MTBE 240.67
    2-butoxyethanol 270.05
    propionic acid 300.39
    o-xylene 383.43
    formic acid 130.61
    diethyl ether 388.02
    m-xylene 519.15
    p-xylene 314.79
    chlorobenzene 850.69
    dimethyl carbonate 381.61
    n-octane 11.71
    formamide 193.35
    cyclopentanone 1101.47
    2-pentanone 462.84
    anisole 407.26
    cyclopentyl methyl ether 693.25
    gamma-butyrolactone 1369.92
    1-methoxy-2-propanol 327.72
    pyridine 1044.65
    3-pentanone 435.18
    furfural 1017.5
    n-dodecane 12.03
    diethylene glycol 277.09
    diisopropyl ether 163.51
    tert-amyl alcohol 115.04
    acetylacetone 662.08
    n-hexadecane 14.93
    acetophenone 393.61
    methyl propionate 540.64
    isopentyl acetate 411.65
    trichloroethylene 1519.58
    n-nonanol 111.46
    cyclohexanol 330.81
    benzyl alcohol 291.04
    2-ethylhexanol 152.82
    isooctanol 115.38
    dipropyl ether 218.34
    1,2-dichlorobenzene 699.85
    ethyl lactate 171.05
    propylene carbonate 766.79
    n-methylformamide 372.8
    2-pentanol 141.16
    n-pentane 39.7
    1-propoxy-2-propanol 300.55
    1-methoxy-2-propyl acetate 545.77
    2-(2-methoxypropoxy) propanol 239.12
    mesitylene 292.71
    ε-caprolactone 893.99
    p-cymene 159.46
    epichlorohydrin 1151.64
    1,1,1-trichloroethane 810.46
    2-aminoethanol 116.52
    morpholine-4-carbaldehyde 890.14
    sulfolane 936.42
    2,2,4-trimethylpentane 24.66
    2-methyltetrahydrofuran 837.42
    n-hexyl acetate 380.12
    isooctane 22.34
    2-(2-butoxyethoxy)ethanol 295.7
    sec-butyl acetate 271.04
    tert-butyl acetate 437.0
    decalin 55.89
    glycerin 116.86
    diglyme 601.26
    acrylic acid 308.91
    isopropyl myristate 152.97
    n-butyric acid 434.77
    acetyl acetate 554.34
    di(2-ethylhexyl) phthalate 154.12
    ethyl propionate 332.06
    nitromethane 731.16
    1,2-diethoxyethane 333.53
    benzonitrile 569.86
    trioctyl phosphate 116.12
    1-bromopropane 453.98
    gamma-valerolactone 1407.54
    n-decanol 79.14
    triethyl phosphate 168.77
    4-methyl-2-pentanol 119.6
    propionitrile 430.97
    vinylene carbonate 831.69
    1,1,2-trichlorotrifluoroethane 611.97
    DMS 431.84
    cumene 153.71
    2-octanol 83.92
    2-hexanone 238.9
    octyl acetate 184.48
    limonene 196.2
    1,2-dimethoxyethane 405.08
    ethyl orthosilicate 163.56
    tributyl phosphate 142.63
    diacetone alcohol 292.72
    N,N-dimethylaniline 249.68
    acrylonitrile 528.48
    aniline 601.69
    1,3-propanediol 187.26
    bromobenzene 1009.99
    dibromomethane 933.1
    1,1,2,2-tetrachloroethane 1136.69
    2-methyl-cyclohexyl acetate 281.55
    tetrabutyl urea 162.39
    diisobutyl methanol 101.46
    2-phenylethanol 345.76
    styrene 335.36
    dioctyl adipate 209.68
    dimethyl sulfate 456.16
    ethyl butyrate 301.79
    methyl lactate 233.66
    butyl lactate 224.72
    diethyl carbonate 232.56
    propanediol butyl ether 193.43
    triethyl orthoformate 237.32
    p-tert-butyltoluene 151.58
    methyl 4-tert-butylbenzoate 332.99
    morpholine 865.35
    tert-butylamine 111.65
    n-dodecanol 60.51
    dimethoxymethane 623.03
    ethylene carbonate 754.93
    cyrene 271.02
    2-ethoxyethyl acetate 469.03
    2-ethylhexyl acetate 351.65
    1,2,4-trichlorobenzene 787.71
    4-methylpyridine 1035.38
    dibutyl ether 146.96
    2,6-dimethyl-4-heptanol 101.46
    DEF 458.59
    dimethyl isosorbide 497.83
    tetrachloroethylene 727.98
    eugenol 283.69
    triacetin 400.22
    span 80 217.37
    1,4-butanediol 68.06
    1,1-dichloroethane 760.05
    2-methyl-1-pentanol 124.83
    methyl formate 351.96
    2-methyl-1-butanol 188.0
    n-decane 21.34
    butyronitrile 392.67
    3,7-dimethyl-1-octanol 123.97
    1-chlorooctane 106.59
    1-chlorotetradecane 44.39
    n-nonane 17.99
    undecane 15.55
    tert-butylcyclohexane 37.59
    cyclooctane 50.25
    cyclopentanol 333.35
    tetrahydropyran 898.65
    tert-amyl methyl ether 189.03
    2,5,8-trioxanonane 365.13
    1-hexene 87.76
    2-isopropoxyethanol 164.9
    2,2,2-trifluoroethanol 224.11
    methyl butyrate 358.97

    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