(4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-one

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  • Identifiers

    CAS number
    17081-85-5

    Molecular formula
    C15H20O

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 64.89%
    Fruity 61.78%
    Sweet 50.03%
    Tobacco 41.66%
    Spicy 37.98%
    Mint 35.99%
    Dry 35.63%
    Citrus 34.19%
    Floral 33.35%
    Orris 33.12%

     

    Flavor
    Herbal 38.5%
    Minty 38.26%
    Woody 29.15%
    Spicy 28.07%
    Fresh 26.24%
    Spice 25.83%
    Camphor 25.59%
    Mint 25.44%
    Basil 24.03%
    Licorice 21.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.53 (weak base)

    Molecular weight
    216.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    303°C

    Flash point

    • 124.68 ˚C est.

  • Synonyms

    • 1,2-dehydro-alpha-cyperone
    • 17081-85-5
    • orb1989849
    • DTXSID001131195
    • AKOS040740375
    • AC-907/21260001
    • (4aS,7R)-1,4a-Dimethyl-7-(prop-1-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2(4aH)-one
    • (4aS,7R)-5,6,7,8-Tetrahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(4aH)-naphthalenone
    • 17081-85-5

  • Applications

    CAS 17081-85-5 is (4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-one; in perfumery and cosmetics it can function as a fragrance ingredient or aroma intermediate. It is often used as a chiral building block for the synthesis of more complex aroma compounds and related specialty chemicals. In industrial manufacturing it may serve as a starting material for the preparation of tetralone-based derivatives. It may also find use in polymers/plastics and coatings as a specialty chemical precursor for formulation development, and researchers may employ it as a precursor in pharmaceutical or agrochemical synthesis under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 177.2
    methanol 146.99
    isopropanol 158.72
    water 0.1
    ethyl acetate 309.3
    n-propanol 199.84
    acetone 191.65
    n-butanol 191.64
    acetonitrile 172.72
    DMF 442.68
    toluene 730.08
    isobutanol 128.54
    1,4-dioxane 801.09
    methyl acetate 275.49
    THF 781.07
    2-butanone 341.01
    n-pentanol 86.72
    sec-butanol 131.2
    n-hexane 8.1
    ethylene glycol 13.0
    NMP 247.77
    cyclohexane 33.77
    DMSO 133.07
    n-butyl acetate 306.29
    n-octanol 45.34
    chloroform 1092.66
    n-propyl acetate 165.81
    acetic acid 66.65
    dichloromethane 789.17
    cyclohexanone 431.24
    propylene glycol 27.43
    isopropyl acetate 207.35
    DMAc 376.17
    2-ethoxyethanol 131.45
    isopentanol 168.14
    n-heptane 7.25
    ethyl formate 139.6
    1,2-dichloroethane 473.87
    n-hexanol 166.56
    2-methoxyethanol 251.4
    isobutyl acetate 117.79
    tetrachloromethane 116.4
    n-pentyl acetate 140.18
    transcutol 1024.99
    n-heptanol 65.55
    ethylbenzene 194.26
    MIBK 175.04
    2-propoxyethanol 296.49
    tert-butanol 193.24
    MTBE 239.64
    2-butoxyethanol 150.34
    propionic acid 82.54
    o-xylene 264.0
    formic acid 25.61
    diethyl ether 276.88
    m-xylene 352.63
    p-xylene 227.33
    chlorobenzene 441.25
    dimethyl carbonate 117.62
    n-octane 2.87
    formamide 68.63
    cyclopentanone 427.47
    2-pentanone 252.12
    anisole 356.44
    cyclopentyl methyl ether 293.11
    gamma-butyrolactone 380.56
    1-methoxy-2-propanol 231.26
    pyridine 825.3
    3-pentanone 210.24
    furfural 389.09
    n-dodecane 2.55
    diethylene glycol 147.18
    diisopropyl ether 77.08
    tert-amyl alcohol 141.34
    acetylacetone 252.23
    n-hexadecane 3.23
    acetophenone 252.6
    methyl propionate 235.11
    isopentyl acetate 287.83
    trichloroethylene 995.61
    n-nonanol 46.09
    cyclohexanol 164.67
    benzyl alcohol 213.84
    2-ethylhexanol 99.04
    isooctanol 57.96
    dipropyl ether 117.28
    1,2-dichlorobenzene 346.23
    ethyl lactate 67.02
    propylene carbonate 210.71
    n-methylformamide 167.58
    2-pentanol 109.4
    n-pentane 12.53
    1-propoxy-2-propanol 222.29
    1-methoxy-2-propyl acetate 343.36
    2-(2-methoxypropoxy) propanol 186.06
    mesitylene 169.81
    ε-caprolactone 345.39
    p-cymene 91.9
    epichlorohydrin 654.76
    1,1,1-trichloroethane 414.06
    2-aminoethanol 50.05
    morpholine-4-carbaldehyde 444.86
    sulfolane 236.3
    2,2,4-trimethylpentane 9.39
    2-methyltetrahydrofuran 453.77
    n-hexyl acetate 169.18
    isooctane 10.87
    2-(2-butoxyethoxy)ethanol 250.79
    sec-butyl acetate 145.58
    tert-butyl acetate 224.42
    decalin 18.97
    glycerin 41.31
    diglyme 503.62
    acrylic acid 66.08
    isopropyl myristate 66.5
    n-butyric acid 170.6
    acetyl acetate 163.74
    di(2-ethylhexyl) phthalate 82.73
    ethyl propionate 153.24
    nitromethane 172.04
    1,2-diethoxyethane 352.77
    benzonitrile 330.2
    trioctyl phosphate 45.63
    1-bromopropane 260.37
    gamma-valerolactone 563.16
    n-decanol 33.18
    triethyl phosphate 81.27
    4-methyl-2-pentanol 86.5
    propionitrile 231.4
    vinylene carbonate 237.58
    1,1,2-trichlorotrifluoroethane 225.46
    DMS 204.99
    cumene 106.53
    2-octanol 37.26
    2-hexanone 156.32
    octyl acetate 78.4
    limonene 98.88
    1,2-dimethoxyethane 340.22
    ethyl orthosilicate 85.0
    tributyl phosphate 61.6
    diacetone alcohol 204.4
    N,N-dimethylaniline 199.38
    acrylonitrile 266.65
    aniline 452.03
    1,3-propanediol 101.65
    bromobenzene 484.53
    dibromomethane 496.91
    1,1,2,2-tetrachloroethane 688.31
    2-methyl-cyclohexyl acetate 150.97
    tetrabutyl urea 74.69
    diisobutyl methanol 65.6
    2-phenylethanol 267.5
    styrene 238.65
    dioctyl adipate 103.35
    dimethyl sulfate 119.27
    ethyl butyrate 183.13
    methyl lactate 83.97
    butyl lactate 106.63
    diethyl carbonate 129.45
    propanediol butyl ether 118.67
    triethyl orthoformate 128.98
    p-tert-butyltoluene 94.5
    methyl 4-tert-butylbenzoate 181.27
    morpholine 854.89
    tert-butylamine 128.36
    n-dodecanol 23.92
    dimethoxymethane 339.26
    ethylene carbonate 193.48
    cyrene 143.29
    2-ethoxyethyl acetate 263.79
    2-ethylhexyl acetate 224.34
    1,2,4-trichlorobenzene 391.28
    4-methylpyridine 867.58
    dibutyl ether 80.17
    2,6-dimethyl-4-heptanol 65.6
    DEF 263.77
    dimethyl isosorbide 357.78
    tetrachloroethylene 385.36
    eugenol 175.38
    triacetin 177.87
    span 80 133.37
    1,4-butanediol 28.85
    1,1-dichloroethane 456.82
    2-methyl-1-pentanol 99.77
    methyl formate 109.33
    2-methyl-1-butanol 133.56
    n-decane 4.59
    butyronitrile 243.6
    3,7-dimethyl-1-octanol 71.3
    1-chlorooctane 34.9
    1-chlorotetradecane 13.18
    n-nonane 3.79
    undecane 3.34
    tert-butylcyclohexane 18.13
    cyclooctane 10.95
    cyclopentanol 120.67
    tetrahydropyran 689.41
    tert-amyl methyl ether 150.68
    2,5,8-trioxanonane 331.75
    1-hexene 52.58
    2-isopropoxyethanol 108.06
    2,2,2-trifluoroethanol 28.61
    methyl butyrate 179.65

    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