7-Octen-2-ol, 8-(1H-indol-1-yl)-2,6-dimethyl-

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  • Identifiers

    CAS number
    68527-79-7

    Molecular formula
    C18H25NO

    SMILES
    CC(CCCC(C)(C)O)C=CN1C=CC2=CC=CC=C21

    Safety labels

  • Odor profile

    Fragrance
    Floral 75.57%
    Fresh 47.83%
    Lily 45.38%
    Neroli 36.84%
    Animal 36.6%
    Muguet 35.45%
    Sweet 34.29%
    Rose 32.85%
    Woody 27.38%
    Citrus 24.83%

     

    Flavor
    Green 35.78%
    Floral 35.28%
    Woody 32.74%
    Wood 29.69%
    Herbal 28.73%
    Bitter 25.28%
    Mild 25.22%
    Waxy 24.06%
    Herb 21.56%
    Fresh 21.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.36 (weak base)

    Molecular weight
    271.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    449°C

    Flash point

    • 183.35 ˚C est.

  • Synonyms

    • 68527-79-7
    • DTXSID30867663
    • 7-Octen-2-ol, 8-(1H-indol-1-yl)-2,6-dimethyl-
    • RefChem:199190
    • DTXCID60815834
    • 8-Indol-1-yl-2,6-dimethyloct-7-en-2-ol
    • 8-(1H-Indol-1-yl)-2,6-dimethyloct-7-en-2-ol
    • SCHEMBL17627643
    • SCHEMBL17627644
    • HAPNXLWNFLTTIE-UHFFFAOYSA-N
    • NS00012633
    • 68527-79-7

  • Applications

    Chemical: 7-Octen-2-ol, 8-(1H-indol-1-yl)-2,6-dimethyl-, CAS 68527-79-7 is typically evaluated as a synthetic building block and odor-active intermediate in industrial chemistry; in perfumery it may function as a fragrance component or precursor for fixatives; in cosmetics/personal care it could be used as an aroma ingredient; in pharmaceutical research it may serve as a scaffolding molecule for indole-containing compounds; in broader industrial manufacturing it can provide a starting point for the synthesis of more complex indole-based materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 851.96
    methanol 715.86
    isopropanol 444.39
    water 0.33
    ethyl acetate 463.09
    n-propanol 507.33
    acetone 343.26
    n-butanol 508.52
    acetonitrile 140.06
    DMF 159.94
    toluene 162.24
    isobutanol 323.81
    1,4-dioxane 933.01
    methyl acetate 322.49
    THF 1188.79
    2-butanone 368.91
    n-pentanol 390.19
    sec-butanol 383.92
    n-hexane 53.4
    ethylene glycol 50.9
    NMP 89.08
    cyclohexane 71.78
    DMSO 200.15
    n-butyl acetate 286.3
    n-octanol 151.37
    chloroform 577.7
    n-propyl acetate 244.76
    acetic acid 175.12
    dichloromethane 414.52
    cyclohexanone 313.32
    propylene glycol 143.45
    isopropyl acetate 274.27
    DMAc 258.76
    2-ethoxyethanol 583.75
    isopentanol 397.39
    n-heptane 36.37
    ethyl formate 161.16
    1,2-dichloroethane 233.14
    n-hexanol 406.05
    2-methoxyethanol 755.95
    isobutyl acetate 221.28
    tetrachloromethane 55.73
    n-pentyl acetate 179.28
    transcutol 1760.99
    n-heptanol 151.63
    ethylbenzene 93.45
    MIBK 218.19
    2-propoxyethanol 644.14
    tert-butanol 337.41
    MTBE 498.21
    2-butoxyethanol 311.23
    propionic acid 142.5
    o-xylene 78.93
    formic acid 60.19
    diethyl ether 702.88
    m-xylene 98.32
    p-xylene 113.19
    chlorobenzene 128.66
    dimethyl carbonate 97.98
    n-octane 15.44
    formamide 81.68
    cyclopentanone 248.86
    2-pentanone 326.67
    anisole 213.96
    cyclopentyl methyl ether 378.57
    gamma-butyrolactone 242.75
    1-methoxy-2-propanol 599.5
    pyridine 334.23
    3-pentanone 235.35
    furfural 207.97
    n-dodecane 14.45
    diethylene glycol 354.49
    diisopropyl ether 158.02
    tert-amyl alcohol 302.9
    acetylacetone 253.01
    n-hexadecane 16.41
    acetophenone 141.98
    methyl propionate 280.52
    isopentyl acetate 292.51
    trichloroethylene 365.82
    n-nonanol 149.49
    cyclohexanol 255.19
    benzyl alcohol 171.08
    2-ethylhexanol 208.05
    isooctanol 127.82
    dipropyl ether 319.01
    1,2-dichlorobenzene 101.94
    ethyl lactate 111.6
    propylene carbonate 173.83
    n-methylformamide 108.14
    2-pentanol 305.5
    n-pentane 47.88
    1-propoxy-2-propanol 414.36
    1-methoxy-2-propyl acetate 332.64
    2-(2-methoxypropoxy) propanol 297.76
    mesitylene 56.35
    ε-caprolactone 297.26
    p-cymene 61.11
    epichlorohydrin 481.38
    1,1,1-trichloroethane 182.85
    2-aminoethanol 184.57
    morpholine-4-carbaldehyde 316.01
    sulfolane 159.37
    2,2,4-trimethylpentane 27.2
    2-methyltetrahydrofuran 636.59
    n-hexyl acetate 271.74
    isooctane 19.07
    2-(2-butoxyethoxy)ethanol 490.69
    sec-butyl acetate 213.64
    tert-butyl acetate 245.95
    decalin 33.52
    glycerin 150.34
    diglyme 717.42
    acrylic acid 81.07
    isopropyl myristate 116.54
    n-butyric acid 310.84
    acetyl acetate 157.93
    di(2-ethylhexyl) phthalate 105.66
    ethyl propionate 204.69
    nitromethane 191.5
    1,2-diethoxyethane 656.7
    benzonitrile 128.18
    trioctyl phosphate 72.41
    1-bromopropane 246.11
    gamma-valerolactone 450.31
    n-decanol 116.5
    triethyl phosphate 89.15
    4-methyl-2-pentanol 181.4
    propionitrile 163.66
    vinylene carbonate 148.65
    1,1,2-trichlorotrifluoroethane 215.83
    DMS 172.35
    cumene 71.83
    2-octanol 98.16
    2-hexanone 254.65
    octyl acetate 149.82
    limonene 93.33
    1,2-dimethoxyethane 831.97
    ethyl orthosilicate 101.9
    tributyl phosphate 95.53
    diacetone alcohol 239.38
    N,N-dimethylaniline 125.81
    acrylonitrile 119.3
    aniline 171.89
    1,3-propanediol 323.62
    bromobenzene 126.2
    dibromomethane 297.62
    1,1,2,2-tetrachloroethane 337.07
    2-methyl-cyclohexyl acetate 188.11
    tetrabutyl urea 111.62
    diisobutyl methanol 96.01
    2-phenylethanol 198.07
    styrene 107.66
    dioctyl adipate 151.62
    dimethyl sulfate 71.97
    ethyl butyrate 194.56
    methyl lactate 119.28
    butyl lactate 147.14
    diethyl carbonate 130.93
    propanediol butyl ether 280.19
    triethyl orthoformate 169.98
    p-tert-butyltoluene 55.44
    methyl 4-tert-butylbenzoate 138.11
    morpholine 968.48
    tert-butylamine 217.98
    n-dodecanol 91.3
    dimethoxymethane 507.37
    ethylene carbonate 155.87
    cyrene 156.7
    2-ethoxyethyl acetate 295.82
    2-ethylhexyl acetate 225.69
    1,2,4-trichlorobenzene 117.0
    4-methylpyridine 266.47
    dibutyl ether 265.17
    2,6-dimethyl-4-heptanol 96.01
    DEF 237.01
    dimethyl isosorbide 363.11
    tetrachloroethylene 212.22
    eugenol 154.93
    triacetin 226.7
    span 80 255.9
    1,4-butanediol 137.28
    1,1-dichloroethane 264.3
    2-methyl-1-pentanol 342.92
    methyl formate 87.93
    2-methyl-1-butanol 355.13
    n-decane 25.38
    butyronitrile 249.09
    3,7-dimethyl-1-octanol 166.62
    1-chlorooctane 96.53
    1-chlorotetradecane 39.92
    n-nonane 23.52
    undecane 18.32
    tert-butylcyclohexane 31.71
    cyclooctane 23.62
    cyclopentanol 197.89
    tetrahydropyran 876.44
    tert-amyl methyl ether 308.47
    2,5,8-trioxanonane 470.08
    1-hexene 196.42
    2-isopropoxyethanol 405.5
    2,2,2-trifluoroethanol 40.84
    methyl butyrate 238.94

    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