rel-(6R,7S)-7-Ethenyl-5,6,7,8-tetrahydro-4-methoxy-7-methyl-6-(1-methylethenyl)-1-naphthalenol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    117568-33-9

    Molecular formula
    C17H22O2

    SMILES
    CC(=C)[C@H]1CC2=C(C=CC(=C2C[C@@]1(C)C=C)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Woody 67.8%
    Sweet 54.47%
    Spicy 53.41%
    Dry 38.15%
    Phenolic 34.69%
    Citrus 32.37%
    Herbal 31.96%
    Fresh 29.03%
    Amber 28.86%
    Warm 27.99%

     

    Flavor
    Woody 44.1%
    Bitter 35.71%
    Herbal 30.47%
    Spice 26.81%
    Wood 26.26%
    Camphor 24.79%
    Minty 23.43%
    Spicy 21.35%
    Fresh 21.16%
    Basil 20.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    8.95 (weak base)

    Molecular weight
    258.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    384°C

    Flash point

    • 147.45 ˚C est.

  • Synonyms

    • 117568-33-9
    • rel-(6R,7S)-7-Ethenyl-5,6,7,8-tetrahydro-4-methoxy-7-methyl-6-(1-methylethenyl)-1-naphthalenol
    • RefChem:178786
    • (6R,7S)-7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol
    • orb3023842
    • DTXSID801118343
    • (6R,7S)-7-Ethenyl-4-methoxy-7-methyl-6-(prop-1-en-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
    • 117568-33-9

  • Applications

    rel-(6R,7S)-7-Ethenyl-5,6,7,8-tetrahydro-4-methoxy-7-methyl-6-(1-methylethenyl)-1-naphthalenol (CAS 117568-33-9) is used as an intermediate and odorant in fragrance chemistry and cosmetics/personal care, contributing to aroma profiles as a fragrance ingredient; it may be evaluated as a flavor/aroma compound for select food-related applications; it also serves as a chiral building block or synthetic intermediate in pharmaceutical manufacturing and as a building block for specialty chemicals in industrial production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 382.57
    methanol 396.81
    isopropanol 329.34
    water 0.24
    ethyl acetate 719.31
    n-propanol 444.77
    acetone 459.08
    n-butanol 396.85
    acetonitrile 265.99
    DMF 926.92
    toluene 466.7
    isobutanol 273.5
    1,4-dioxane 1085.23
    methyl acetate 472.05
    THF 1463.27
    2-butanone 522.87
    n-pentanol 136.56
    sec-butanol 214.6
    n-hexane 10.06
    ethylene glycol 48.53
    NMP 393.2
    cyclohexane 39.35
    DMSO 378.61
    n-butyl acetate 320.76
    n-octanol 57.71
    chloroform 1352.97
    n-propyl acetate 241.77
    acetic acid 236.09
    dichloromethane 1114.34
    cyclohexanone 615.69
    propylene glycol 73.05
    isopropyl acetate 440.7
    DMAc 645.58
    2-ethoxyethanol 333.17
    isopentanol 314.13
    n-heptane 8.28
    ethyl formate 259.43
    1,2-dichloroethane 843.45
    n-hexanol 218.23
    2-methoxyethanol 714.82
    isobutyl acetate 173.67
    tetrachloromethane 148.85
    n-pentyl acetate 168.71
    transcutol 1422.25
    n-heptanol 86.6
    ethylbenzene 132.64
    MIBK 300.54
    2-propoxyethanol 529.64
    tert-butanol 467.09
    MTBE 574.19
    2-butoxyethanol 232.13
    propionic acid 192.8
    o-xylene 171.14
    formic acid 86.05
    diethyl ether 772.52
    m-xylene 240.24
    p-xylene 147.15
    chlorobenzene 398.16
    dimethyl carbonate 309.28
    n-octane 3.47
    formamide 205.7
    cyclopentanone 711.82
    2-pentanone 478.35
    anisole 366.75
    cyclopentyl methyl ether 580.45
    gamma-butyrolactone 682.57
    1-methoxy-2-propanol 558.09
    pyridine 738.27
    3-pentanone 381.44
    furfural 573.25
    n-dodecane 2.74
    diethylene glycol 324.56
    diisopropyl ether 154.16
    tert-amyl alcohol 269.97
    acetylacetone 509.85
    n-hexadecane 3.44
    acetophenone 247.79
    methyl propionate 514.44
    isopentyl acetate 308.26
    trichloroethylene 1456.26
    n-nonanol 56.54
    cyclohexanol 257.04
    benzyl alcohol 221.36
    2-ethylhexanol 105.28
    isooctanol 76.22
    dipropyl ether 178.07
    1,2-dichlorobenzene 344.3
    ethyl lactate 107.63
    propylene carbonate 357.38
    n-methylformamide 371.09
    2-pentanol 212.87
    n-pentane 16.89
    1-propoxy-2-propanol 287.16
    1-methoxy-2-propyl acetate 429.82
    2-(2-methoxypropoxy) propanol 204.23
    mesitylene 121.9
    ε-caprolactone 463.6
    p-cymene 68.57
    epichlorohydrin 1155.18
    1,1,1-trichloroethane 620.26
    2-aminoethanol 136.81
    morpholine-4-carbaldehyde 679.46
    sulfolane 497.85
    2,2,4-trimethylpentane 13.23
    2-methyltetrahydrofuran 706.39
    n-hexyl acetate 206.75
    isooctane 12.69
    2-(2-butoxyethoxy)ethanol 329.9
    sec-butyl acetate 197.76
    tert-butyl acetate 426.24
    decalin 17.78
    glycerin 126.56
    diglyme 731.15
    acrylic acid 164.63
    isopropyl myristate 73.24
    n-butyric acid 371.39
    acetyl acetate 378.99
    di(2-ethylhexyl) phthalate 82.16
    ethyl propionate 258.59
    nitromethane 513.87
    1,2-diethoxyethane 447.76
    benzonitrile 255.8
    trioctyl phosphate 54.92
    1-bromopropane 383.0
    gamma-valerolactone 898.74
    n-decanol 39.06
    triethyl phosphate 101.13
    4-methyl-2-pentanol 142.97
    propionitrile 331.33
    vinylene carbonate 383.73
    1,1,2-trichlorotrifluoroethane 493.92
    DMS 257.84
    cumene 79.68
    2-octanol 49.54
    2-hexanone 196.0
    octyl acetate 89.86
    limonene 86.05
    1,2-dimethoxyethane 669.32
    ethyl orthosilicate 103.73
    tributyl phosphate 72.16
    diacetone alcohol 359.96
    N,N-dimethylaniline 188.29
    acrylonitrile 388.53
    aniline 417.12
    1,3-propanediol 298.63
    bromobenzene 401.62
    dibromomethane 622.78
    1,1,2,2-tetrachloroethane 1067.09
    2-methyl-cyclohexyl acetate 156.8
    tetrabutyl urea 83.93
    diisobutyl methanol 75.57
    2-phenylethanol 233.22
    styrene 171.98
    dioctyl adipate 109.79
    dimethyl sulfate 324.33
    ethyl butyrate 200.14
    methyl lactate 189.1
    butyl lactate 128.18
    diethyl carbonate 149.03
    propanediol butyl ether 174.3
    triethyl orthoformate 157.95
    p-tert-butyltoluene 76.31
    methyl 4-tert-butylbenzoate 190.14
    morpholine 1236.88
    tert-butylamine 247.67
    n-dodecanol 27.88
    dimethoxymethane 960.3
    ethylene carbonate 348.6
    cyrene 196.5
    2-ethoxyethyl acetate 324.59
    2-ethylhexyl acetate 226.93
    1,2,4-trichlorobenzene 395.82
    4-methylpyridine 694.47
    dibutyl ether 102.8
    2,6-dimethyl-4-heptanol 75.57
    DEF 480.44
    dimethyl isosorbide 409.88
    tetrachloroethylene 611.32
    eugenol 184.83
    triacetin 214.45
    span 80 148.04
    1,4-butanediol 68.69
    1,1-dichloroethane 697.93
    2-methyl-1-pentanol 146.94
    methyl formate 297.45
    2-methyl-1-butanol 262.05
    n-decane 5.31
    butyronitrile 294.9
    3,7-dimethyl-1-octanol 76.85
    1-chlorooctane 41.72
    1-chlorotetradecane 14.71
    n-nonane 4.4
    undecane 3.66
    tert-butylcyclohexane 16.57
    cyclooctane 11.63
    cyclopentanol 217.93
    tetrahydropyran 1046.87
    tert-amyl methyl ether 297.72
    2,5,8-trioxanonane 393.81
    1-hexene 59.83
    2-isopropoxyethanol 224.09
    2,2,2-trifluoroethanol 97.59
    methyl butyrate 267.54

    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