(1S,4R)-1-Isopropyl-4,7-dimethyl-1,2,3,4,5,6-hexahydronaphthalene

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  • Identifiers

    CAS number
    20085-11-4

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CC[C@H](C2=C1CCC(=C2)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 82.46%
    Spicy 64.88%
    Herbal 51.0%
    Dry 41.03%
    Balsamic 40.51%
    Sweet 39.05%
    Fresh 37.45%
    Terpenic 35.43%
    Citrus 35.27%
    Amber 30.89%

     

    Flavor
    Woody 77.65%
    Wood 64.7%
    Herbal 51.62%
    Spice 50.56%
    Herb 41.11%
    Turpentine 36.12%
    Terpene 35.98%
    Citrus 35.43%
    Spicy 33.21%
    Lemon 32.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.34 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    271°C

    Flash point

    • 98.61 ˚C est.

  • Synonyms

    • (1S,4R)-1-Isopropyl-4,7-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
    • 20085-11-4
    • 20085-11-4

  • Applications

    Primarily used as a fragrance ingredient and odorant in perfumery, contributing to distinctive aroma profiles. It is commonly used as an intermediate in the synthesis of fragrance compounds, serving as a chiral building block for stereoselective routes. In cosmetics and personal care, the compound may function as a fragrance component in formulations such as lotions and soaps, subject to regulatory constraints. It is also employed in household products, including air fresheners and cleaners, as a fragrance additive. In industrial manufacturing, the compound can be utilized as an intermediate in fragrance chemistry and related chemical syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 65.87
    methanol 23.21
    isopropanol 83.52
    water 0.01
    ethyl acetate 237.46
    n-propanol 90.46
    acetone 214.48
    n-butanol 126.35
    acetonitrile 90.78
    DMF 149.68
    toluene 572.13
    isobutanol 84.49
    1,4-dioxane 591.81
    methyl acetate 170.87
    THF 1096.22
    2-butanone 278.63
    n-pentanol 89.43
    sec-butanol 97.01
    n-hexane 159.77
    ethylene glycol 3.7
    NMP 238.22
    cyclohexane 333.08
    DMSO 99.7
    n-butyl acetate 578.58
    n-octanol 159.6
    chloroform 606.93
    n-propyl acetate 188.69
    acetic acid 38.94
    dichloromethane 582.91
    cyclohexanone 573.89
    propylene glycol 11.3
    isopropyl acetate 208.76
    DMAc 176.73
    2-ethoxyethanol 67.59
    isopentanol 133.45
    n-heptane 292.2
    ethyl formate 97.33
    1,2-dichloroethane 380.44
    n-hexanol 295.64
    2-methoxyethanol 77.84
    isobutyl acetate 185.08
    tetrachloromethane 151.77
    n-pentyl acetate 279.37
    transcutol 426.64
    n-heptanol 145.27
    ethylbenzene 260.53
    MIBK 210.02
    2-propoxyethanol 218.19
    tert-butanol 128.17
    MTBE 308.01
    2-butoxyethanol 141.56
    propionic acid 50.44
    o-xylene 278.02
    formic acid 3.13
    diethyl ether 367.96
    m-xylene 342.46
    p-xylene 309.0
    chlorobenzene 376.76
    dimethyl carbonate 56.61
    n-octane 90.1
    formamide 7.67
    cyclopentanone 570.7
    2-pentanone 280.7
    anisole 276.51
    cyclopentyl methyl ether 513.25
    gamma-butyrolactone 365.39
    1-methoxy-2-propanol 96.05
    pyridine 538.63
    3-pentanone 236.61
    furfural 240.37
    n-dodecane 58.47
    diethylene glycol 61.69
    diisopropyl ether 167.01
    tert-amyl alcohol 128.56
    acetylacetone 247.41
    n-hexadecane 69.87
    acetophenone 225.33
    methyl propionate 155.25
    isopentyl acetate 498.75
    trichloroethylene 582.46
    n-nonanol 153.57
    cyclohexanol 212.91
    benzyl alcohol 133.61
    2-ethylhexanol 296.77
    isooctanol 135.12
    dipropyl ether 556.17
    1,2-dichlorobenzene 293.75
    ethyl lactate 54.11
    propylene carbonate 225.56
    n-methylformamide 39.0
    2-pentanol 110.56
    n-pentane 133.84
    1-propoxy-2-propanol 235.54
    1-methoxy-2-propyl acetate 329.59
    2-(2-methoxypropoxy) propanol 186.42
    mesitylene 237.57
    ε-caprolactone 400.91
    p-cymene 290.33
    epichlorohydrin 450.25
    1,1,1-trichloroethane 424.6
    2-aminoethanol 12.86
    morpholine-4-carbaldehyde 255.86
    sulfolane 301.46
    2,2,4-trimethylpentane 59.62
    2-methyltetrahydrofuran 789.97
    n-hexyl acetate 365.82
    isooctane 57.95
    2-(2-butoxyethoxy)ethanol 220.2
    sec-butyl acetate 167.29
    tert-butyl acetate 249.25
    decalin 133.11
    glycerin 13.21
    diglyme 395.12
    acrylic acid 31.97
    isopropyl myristate 200.55
    n-butyric acid 126.16
    acetyl acetate 151.23
    di(2-ethylhexyl) phthalate 143.31
    ethyl propionate 165.05
    nitromethane 69.84
    1,2-diethoxyethane 439.59
    benzonitrile 233.53
    trioctyl phosphate 111.95
    1-bromopropane 445.49
    gamma-valerolactone 435.53
    n-decanol 123.19
    triethyl phosphate 137.54
    4-methyl-2-pentanol 91.33
    propionitrile 136.33
    vinylene carbonate 173.25
    1,1,2-trichlorotrifluoroethane 124.73
    DMS 187.22
    cumene 178.0
    2-octanol 121.52
    2-hexanone 233.2
    octyl acetate 222.43
    limonene 393.14
    1,2-dimethoxyethane 273.37
    ethyl orthosilicate 150.23
    tributyl phosphate 128.07
    diacetone alcohol 162.34
    N,N-dimethylaniline 199.09
    acrylonitrile 101.82
    aniline 225.32
    1,3-propanediol 34.19
    bromobenzene 505.65
    dibromomethane 514.47
    1,1,2,2-tetrachloroethane 440.03
    2-methyl-cyclohexyl acetate 298.01
    tetrabutyl urea 174.64
    diisobutyl methanol 180.63
    2-phenylethanol 249.51
    styrene 286.6
    dioctyl adipate 219.44
    dimethyl sulfate 69.05
    ethyl butyrate 356.16
    methyl lactate 39.68
    butyl lactate 130.94
    diethyl carbonate 184.54
    propanediol butyl ether 95.95
    triethyl orthoformate 240.71
    p-tert-butyltoluene 278.41
    methyl 4-tert-butylbenzoate 231.61
    morpholine 497.79
    tert-butylamine 125.27
    n-dodecanol 104.46
    dimethoxymethane 181.89
    ethylene carbonate 161.85
    cyrene 142.5
    2-ethoxyethyl acetate 282.39
    2-ethylhexyl acetate 471.68
    1,2,4-trichlorobenzene 328.46
    4-methylpyridine 537.72
    dibutyl ether 377.21
    2,6-dimethyl-4-heptanol 180.63
    DEF 228.62
    dimethyl isosorbide 392.8
    tetrachloroethylene 259.12
    eugenol 165.73
    triacetin 215.49
    span 80 193.08
    1,4-butanediol 15.96
    1,1-dichloroethane 356.03
    2-methyl-1-pentanol 114.3
    methyl formate 38.47
    2-methyl-1-butanol 118.85
    n-decane 99.65
    butyronitrile 198.87
    3,7-dimethyl-1-octanol 181.19
    1-chlorooctane 234.13
    1-chlorotetradecane 104.77
    n-nonane 105.94
    undecane 73.73
    tert-butylcyclohexane 111.52
    cyclooctane 158.46
    cyclopentanol 181.02
    tetrahydropyran 908.65
    tert-amyl methyl ether 223.63
    2,5,8-trioxanonane 292.28
    1-hexene 303.26
    2-isopropoxyethanol 80.27
    2,2,2-trifluoroethanol 11.38
    methyl butyrate 203.3

    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