6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-

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  • Identifiers

    CAS number
    85136-05-6

    Molecular formula
    C12H22O

    SMILES
    CCC(C(C)(CC=C(C)C)C=C)O

    Safety labels

  • Odor profile

    Fragrance
    Herbal 57.62%
    Citrus 47.7%
    Woody 47.46%
    Fresh 33.86%
    Floral 30.93%
    Lavender 30.0%
    Lemon 29.32%
    Grapefruit 28.79%
    Sweet 27.87%
    Spicy 25.62%

     

    Flavor
    Herbal 51.8%
    Woody 50.81%
    Floral 47.42%
    Citrus 46.83%
    Green 45.67%
    Sweet 44.09%
    Herb 39.24%
    Lavender 32.65%
    Fresh 32.4%
    Wood 32.05%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    9.45 (weak base)

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    219°C

    Flash point

    • 95.4 ˚C est.

  • Synonyms

    • 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-
    • 85136-05-6
    • EINECS 285-727-3
    • 4,7-Dimethyl-4-vinyl-6-octene-3-ol
    • DTXSID10888659
    • RefChem:544129
    • DTXCID301027935
    • 4-ethenyl-4,7-dimethyloct-6-en-3-ol
    • 4,7-Dimethyl-4-vinyloct-6-en-3-ol
    • SCHEMBL296161
    • BLLRZXYXUWMGHJ-UHFFFAOYSA-N
    • NS00012344
    • 85136-05-6

  • Applications

    6-Octen-3-ol, 4-ethenyl-4,7-dimethyl- (CAS 85136-05-6) is a multifunctional compound that is considered a fragrance ingredient and an intermediate for aroma chemical synthesis; typical applications include serving as a fragrance component in perfumery and cosmetics, acting as an intermediate to synthesize other aroma compounds, and because it contains a vinyl group it can participate in polymerization, making it a functional monomer or additive for polymer systems, coatings, and inks; it may also be used as a fragrance additive in household cleaning and other consumer products. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 801.39
    methanol 387.03
    isopropanol 1126.59
    water 0.56
    ethyl acetate 865.53
    n-propanol 821.02
    acetone 671.46
    n-butanol 983.94
    acetonitrile 513.83
    DMF 613.4
    toluene 513.34
    isobutanol 780.41
    1,4-dioxane 1452.08
    methyl acetate 687.02
    THF 2050.04
    2-butanone 933.98
    n-pentanol 624.39
    sec-butanol 1166.2
    n-hexane 388.71
    ethylene glycol 58.83
    NMP 514.39
    cyclohexane 495.01
    DMSO 411.99
    n-butyl acetate 1101.61
    n-octanol 581.46
    chloroform 1743.97
    n-propyl acetate 530.43
    acetic acid 330.8
    dichloromethane 1171.8
    cyclohexanone 1049.22
    propylene glycol 185.94
    isopropyl acetate 643.42
    DMAc 654.47
    2-ethoxyethanol 505.94
    isopentanol 1028.54
    n-heptane 344.53
    ethyl formate 419.43
    1,2-dichloroethane 690.09
    n-hexanol 1142.69
    2-methoxyethanol 699.53
    isobutyl acetate 451.63
    tetrachloromethane 412.8
    n-pentyl acetate 542.22
    transcutol 1727.77
    n-heptanol 574.15
    ethylbenzene 364.64
    MIBK 585.49
    2-propoxyethanol 865.94
    tert-butanol 1709.87
    MTBE 1707.24
    2-butoxyethanol 587.04
    propionic acid 369.62
    o-xylene 382.55
    formic acid 61.13
    diethyl ether 1182.89
    m-xylene 409.74
    p-xylene 482.83
    chlorobenzene 483.78
    dimethyl carbonate 156.21
    n-octane 122.25
    formamide 101.24
    cyclopentanone 914.56
    2-pentanone 789.71
    anisole 529.44
    cyclopentyl methyl ether 883.49
    gamma-butyrolactone 763.64
    1-methoxy-2-propanol 705.53
    pyridine 831.6
    3-pentanone 523.05
    furfural 618.22
    n-dodecane 78.1
    diethylene glycol 358.06
    diisopropyl ether 482.98
    tert-amyl alcohol 1460.27
    acetylacetone 563.85
    n-hexadecane 88.07
    acetophenone 416.85
    methyl propionate 453.88
    isopentyl acetate 996.91
    trichloroethylene 1236.19
    n-nonanol 487.36
    cyclohexanol 854.98
    benzyl alcohol 365.57
    2-ethylhexanol 750.61
    isooctanol 492.02
    dipropyl ether 860.08
    1,2-dichlorobenzene 435.2
    ethyl lactate 196.83
    propylene carbonate 568.78
    n-methylformamide 216.97
    2-pentanol 915.81
    n-pentane 351.53
    1-propoxy-2-propanol 831.7
    1-methoxy-2-propyl acetate 656.3
    2-(2-methoxypropoxy) propanol 532.54
    mesitylene 308.57
    ε-caprolactone 859.6
    p-cymene 325.96
    epichlorohydrin 1006.37
    1,1,1-trichloroethane 1068.53
    2-aminoethanol 195.96
    morpholine-4-carbaldehyde 661.47
    sulfolane 665.16
    2,2,4-trimethylpentane 190.36
    2-methyltetrahydrofuran 1687.64
    n-hexyl acetate 798.91
    isooctane 171.31
    2-(2-butoxyethoxy)ethanol 724.62
    sec-butyl acetate 471.54
    tert-butyl acetate 737.51
    decalin 209.17
    glycerin 183.54
    diglyme 1115.12
    acrylic acid 215.85
    isopropyl myristate 353.73
    n-butyric acid 766.53
    acetyl acetate 382.71
    di(2-ethylhexyl) phthalate 265.45
    ethyl propionate 438.08
    nitromethane 421.66
    1,2-diethoxyethane 854.62
    benzonitrile 477.37
    trioctyl phosphate 221.99
    1-bromopropane 851.36
    gamma-valerolactone 1017.96
    n-decanol 353.0
    triethyl phosphate 243.34
    4-methyl-2-pentanol 578.98
    propionitrile 620.39
    vinylene carbonate 464.81
    1,1,2-trichlorotrifluoroethane 493.13
    DMS 329.2
    cumene 293.14
    2-octanol 439.37
    2-hexanone 635.89
    octyl acetate 405.71
    limonene 500.19
    1,2-dimethoxyethane 1036.94
    ethyl orthosilicate 275.61
    tributyl phosphate 250.39
    diacetone alcohol 648.86
    N,N-dimethylaniline 379.9
    acrylonitrile 447.06
    aniline 472.23
    1,3-propanediol 406.21
    bromobenzene 551.86
    dibromomethane 998.22
    1,1,2,2-tetrachloroethane 1087.43
    2-methyl-cyclohexyl acetate 540.1
    tetrabutyl urea 287.19
    diisobutyl methanol 476.88
    2-phenylethanol 496.5
    styrene 390.4
    dioctyl adipate 382.38
    dimethyl sulfate 203.43
    ethyl butyrate 673.83
    methyl lactate 196.99
    butyl lactate 369.26
    diethyl carbonate 386.84
    propanediol butyl ether 529.9
    triethyl orthoformate 462.4
    p-tert-butyltoluene 344.68
    methyl 4-tert-butylbenzoate 493.53
    morpholine 1534.92
    tert-butylamine 1334.42
    n-dodecanol 269.59
    dimethoxymethane 489.86
    ethylene carbonate 419.3
    cyrene 379.92
    2-ethoxyethyl acetate 539.27
    2-ethylhexyl acetate 787.11
    1,2,4-trichlorobenzene 501.28
    4-methylpyridine 922.12
    dibutyl ether 671.52
    2,6-dimethyl-4-heptanol 476.88
    DEF 618.73
    dimethyl isosorbide 769.31
    tetrachloroethylene 683.15
    eugenol 397.15
    triacetin 485.76
    span 80 540.97
    1,4-butanediol 155.98
    1,1-dichloroethane 1088.82
    2-methyl-1-pentanol 646.95
    methyl formate 167.34
    2-methyl-1-butanol 894.68
    n-decane 143.76
    butyronitrile 909.74
    3,7-dimethyl-1-octanol 583.24
    1-chlorooctane 398.12
    1-chlorotetradecane 168.14
    n-nonane 154.12
    undecane 102.07
    tert-butylcyclohexane 228.8
    cyclooctane 180.1
    cyclopentanol 719.85
    tetrahydropyran 1852.06
    tert-amyl methyl ether 1032.12
    2,5,8-trioxanonane 699.18
    1-hexene 827.9
    2-isopropoxyethanol 470.79
    2,2,2-trifluoroethanol 97.03
    methyl butyrate 585.96

    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