(2S,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

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  • Identifiers

    CAS number
    28290-20-2

    Molecular formula
    C15H24

    SMILES
    CC1=C2C[C@H](CC[C@@]2(CCC1)C)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 83.74%
    Sweet 70.14%
    Spicy 44.08%
    Balsamic 42.02%
    Dry 41.08%
    Citrus 39.46%
    Green 38.65%
    Terpenic 37.46%
    Amber 35.56%
    Oily 34.89%

     

    Flavor
    Woody 56.56%
    Wood 45.6%
    Dry 33.14%
    Sweet 28.64%
    Spice 27.62%
    Balsamic 27.06%
    Camphor 26.63%
    Fresh 24.58%
    Pine 24.57%
    Fir needle 24.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    10.16 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    272°C

    Flash point

    • 99.58 ˚C est.

  • Synonyms

    • 4,11-selinadiene
    • (2S,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
    • SCHEMBL21112087
    • DTXSID001037232
    • (2S,4aS)-2-isopropenyl-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
    • 28290-20-2
    • 28290-20-2

  • Applications

    Applications for the chemical (2S,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene (CAS number: 28290-20-2) are primarily as a fragrance-related intermediate and odorant in perfumery and cosmetics, contributing to scent profiles and potentially functioning as a fixative in formulations. It may also serve as a chiral building block or synthetic intermediate for terpenoid- or hydrocarbon-based compounds in pharmaceutical and industrial chemistry. Additionally, it acts as a specialty intermediate in the synthesis of more complex hydrocarbons in industrial manufacturing. Finally, it can be employed as an odorant additive for household and cleaning products, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 501.28
    methanol 257.47
    isopropanol 462.04
    water 0.05
    ethyl acetate 1140.86
    n-propanol 525.73
    acetone 659.16
    n-butanol 625.45
    acetonitrile 425.2
    DMF 442.72
    toluene 1580.98
    isobutanol 350.71
    1,4-dioxane 2525.86
    methyl acetate 597.69
    THF 3635.21
    2-butanone 779.81
    n-pentanol 280.58
    sec-butanol 340.97
    n-hexane 169.71
    ethylene glycol 11.86
    NMP 314.05
    cyclohexane 537.51
    DMSO 201.12
    n-butyl acetate 1883.72
    n-octanol 238.18
    chloroform 1554.42
    n-propyl acetate 525.54
    acetic acid 132.82
    dichloromethane 1457.05
    cyclohexanone 1149.92
    propylene glycol 32.38
    isopropyl acetate 884.02
    DMAc 342.87
    2-ethoxyethanol 258.94
    isopentanol 528.78
    n-heptane 352.01
    ethyl formate 365.59
    1,2-dichloroethane 926.96
    n-hexanol 943.99
    2-methoxyethanol 478.54
    isobutyl acetate 427.29
    tetrachloromethane 299.35
    n-pentyl acetate 557.61
    transcutol 1918.21
    n-heptanol 262.76
    ethylbenzene 414.74
    MIBK 607.42
    2-propoxyethanol 966.6
    tert-butanol 561.77
    MTBE 1259.24
    2-butoxyethanol 349.07
    propionic acid 151.52
    o-xylene 521.41
    formic acid 19.04
    diethyl ether 1839.7
    m-xylene 800.89
    p-xylene 474.84
    chlorobenzene 854.08
    dimethyl carbonate 171.25
    n-octane 79.17
    formamide 47.66
    cyclopentanone 1038.52
    2-pentanone 891.8
    anisole 635.1
    cyclopentyl methyl ether 1384.65
    gamma-butyrolactone 810.29
    1-methoxy-2-propanol 448.03
    pyridine 1634.21
    3-pentanone 617.34
    furfural 525.99
    n-dodecane 47.42
    diethylene glycol 218.06
    diisopropyl ether 560.7
    tert-amyl alcohol 338.36
    acetylacetone 709.28
    n-hexadecane 57.81
    acetophenone 384.99
    methyl propionate 554.28
    isopentyl acetate 1521.27
    trichloroethylene 1269.56
    n-nonanol 240.56
    cyclohexanol 503.84
    benzyl alcohol 254.31
    2-ethylhexanol 641.54
    isooctanol 221.35
    dipropyl ether 1789.2
    1,2-dichlorobenzene 530.25
    ethyl lactate 97.81
    propylene carbonate 464.01
    n-methylformamide 176.02
    2-pentanol 388.7
    n-pentane 225.86
    1-propoxy-2-propanol 870.15
    1-methoxy-2-propyl acetate 1202.77
    2-(2-methoxypropoxy) propanol 397.93
    mesitylene 450.44
    ε-caprolactone 824.04
    p-cymene 439.92
    epichlorohydrin 1164.48
    1,1,1-trichloroethane 817.41
    2-aminoethanol 58.29
    morpholine-4-carbaldehyde 619.13
    sulfolane 396.36
    2,2,4-trimethylpentane 81.3
    2-methyltetrahydrofuran 2108.73
    n-hexyl acetate 702.47
    isooctane 106.08
    2-(2-butoxyethoxy)ethanol 574.04
    sec-butyl acetate 437.5
    tert-butyl acetate 879.33
    decalin 136.63
    glycerin 39.02
    diglyme 1215.55
    acrylic acid 76.97
    isopropyl myristate 318.1
    n-butyric acid 515.55
    acetyl acetate 528.3
    di(2-ethylhexyl) phthalate 212.85
    ethyl propionate 462.66
    nitromethane 246.81
    1,2-diethoxyethane 1929.56
    benzonitrile 533.1
    trioctyl phosphate 142.94
    1-bromopropane 971.43
    gamma-valerolactone 1089.62
    n-decanol 177.13
    triethyl phosphate 248.12
    4-methyl-2-pentanol 285.27
    propionitrile 635.99
    vinylene carbonate 425.37
    1,1,2-trichlorotrifluoroethane 240.7
    DMS 369.4
    cumene 245.26
    2-octanol 169.14
    2-hexanone 514.97
    octyl acetate 334.24
    limonene 653.11
    1,2-dimethoxyethane 1055.29
    ethyl orthosilicate 286.27
    tributyl phosphate 192.32
    diacetone alcohol 438.67
    N,N-dimethylaniline 355.83
    acrylonitrile 426.25
    aniline 696.62
    1,3-propanediol 198.41
    bromobenzene 1058.68
    dibromomethane 1072.33
    1,1,2,2-tetrachloroethane 843.99
    2-methyl-cyclohexyl acetate 584.61
    tetrabutyl urea 249.8
    diisobutyl methanol 395.5
    2-phenylethanol 565.34
    styrene 520.24
    dioctyl adipate 350.51
    dimethyl sulfate 119.79
    ethyl butyrate 1048.99
    methyl lactate 100.88
    butyl lactate 225.14
    diethyl carbonate 512.9
    propanediol butyl ether 177.87
    triethyl orthoformate 670.34
    p-tert-butyltoluene 459.92
    methyl 4-tert-butylbenzoate 374.43
    morpholine 2410.62
    tert-butylamine 530.92
    n-dodecanol 138.69
    dimethoxymethane 903.95
    ethylene carbonate 418.46
    cyrene 189.54
    2-ethoxyethyl acetate 719.41
    2-ethylhexyl acetate 1246.89
    1,2,4-trichlorobenzene 542.53
    4-methylpyridine 1561.2
    dibutyl ether 824.87
    2,6-dimethyl-4-heptanol 395.5
    DEF 648.4
    dimethyl isosorbide 820.97
    tetrachloroethylene 559.28
    eugenol 268.28
    triacetin 372.27
    span 80 336.79
    1,4-butanediol 39.33
    1,1-dichloroethane 897.82
    2-methyl-1-pentanol 263.43
    methyl formate 133.05
    2-methyl-1-butanol 386.99
    n-decane 94.94
    butyronitrile 862.47
    3,7-dimethyl-1-octanol 327.05
    1-chlorooctane 290.81
    1-chlorotetradecane 110.12
    n-nonane 92.33
    undecane 64.09
    tert-butylcyclohexane 128.28
    cyclooctane 189.05
    cyclopentanol 372.69
    tetrahydropyran 3212.82
    tert-amyl methyl ether 613.79
    2,5,8-trioxanonane 730.43
    1-hexene 491.58
    2-isopropoxyethanol 219.63
    2,2,2-trifluoroethanol 30.7
    methyl butyrate 520.03

    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