3-Octanol, 3-methyl-6-methylene-

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  • Identifiers

    CAS number
    68227-31-6

    Molecular formula
    C10H20O

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 75.56%
    Woody 58.98%
    Citrus 51.29%
    Fresh 50.35%
    Sweet 49.41%
    Rose 46.57%
    Fruity 42.23%
    Herbal 35.59%
    Lavender 30.66%
    Lily 30.55%

     

    Flavor
    Floral 66.31%
    Green 56.65%
    Woody 50.42%
    Citrus 42.83%
    Fruity 39.05%
    Herbal 34.99%
    Fresh 33.52%
    Oily 31.34%
    Lily 31.06%
    Waxy 30.34%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    10.68 (weak base)

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    198°C

    Flash point

    • 72.68 ˚C est.

  • Synonyms

    • 68227-31-6
    • 3-Octanol, 3-methyl-6-methylene-
    • EINECS 269-345-4
    • 3-Methyl-6-metyleneoctan-3-ol
    • DTXSID10887288
    • RefChem:504557
    • DTXCID401026592
    • 3-Methyl-6-methyleneoctan-3-ol
    • 3-methyl-6-methylideneoctan-3-ol
    • CZBZCHPXBPHOSA-UHFFFAOYSA-N
    • 3-methyl-6-methylene-octan-3-ol
    • AKOS030256003
    • NS00059425
    • 68227-31-6

  • Applications

    3-Octanol, 3-methyl-6-methylene- (CAS 68227-31-6) is used primarily as a fragrance ingredient and odorant in the perfumery/fragrance sector, and as an intermediate in the synthesis of aroma compounds; it may function as a solvent or processing aid in cosmetics and household products; acts as a precursor for developing new fragrance materials; in coatings, inks, and other industrial manufacturing, it can serve as a solvent or formulation component; in polymers/plastics, it may be used as a fragrance-bearing additive or as a feedstock for aroma-related derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3438.28
    methanol 2230.35
    isopropanol 3776.16
    water 2.59
    ethyl acetate 1479.86
    n-propanol 2690.82
    acetone 1232.19
    n-butanol 2784.33
    acetonitrile 1093.13
    DMF 929.35
    toluene 632.71
    isobutanol 2006.22
    1,4-dioxane 3090.18
    methyl acetate 1167.83
    THF 3162.04
    2-butanone 1420.19
    n-pentanol 1737.21
    sec-butanol 2950.49
    n-hexane 609.54
    ethylene glycol 336.96
    NMP 527.43
    cyclohexane 670.87
    DMSO 838.28
    n-butyl acetate 1475.05
    n-octanol 1132.57
    chloroform 2541.35
    n-propyl acetate 739.38
    acetic acid 853.0
    dichloromethane 1544.54
    cyclohexanone 1352.39
    propylene glycol 983.58
    isopropyl acetate 976.66
    DMAc 928.82
    2-ethoxyethanol 1497.67
    isopentanol 2277.82
    n-heptane 599.6
    ethyl formate 723.72
    1,2-dichloroethane 865.37
    n-hexanol 2763.08
    2-methoxyethanol 2270.29
    isobutyl acetate 569.57
    tetrachloromethane 544.85
    n-pentyl acetate 771.33
    transcutol 3256.04
    n-heptanol 1121.75
    ethylbenzene 417.97
    MIBK 798.06
    2-propoxyethanol 2288.34
    tert-butanol 4257.5
    MTBE 2659.76
    2-butoxyethanol 1238.94
    propionic acid 945.78
    o-xylene 403.14
    formic acid 213.72
    diethyl ether 2112.36
    m-xylene 418.72
    p-xylene 516.48
    chlorobenzene 572.25
    dimethyl carbonate 196.82
    n-octane 186.49
    formamide 289.97
    cyclopentanone 1127.92
    2-pentanone 1194.99
    anisole 746.4
    cyclopentyl methyl ether 1272.79
    gamma-butyrolactone 973.37
    1-methoxy-2-propanol 2058.47
    pyridine 1397.45
    3-pentanone 675.23
    furfural 854.81
    n-dodecane 128.03
    diethylene glycol 1082.72
    diisopropyl ether 666.49
    tert-amyl alcohol 2997.01
    acetylacetone 825.35
    n-hexadecane 139.25
    acetophenone 457.72
    methyl propionate 736.07
    isopentyl acetate 1239.89
    trichloroethylene 1309.86
    n-nonanol 945.39
    cyclohexanol 1693.76
    benzyl alcohol 621.34
    2-ethylhexanol 1413.83
    isooctanol 820.93
    dipropyl ether 1495.01
    1,2-dichlorobenzene 435.98
    ethyl lactate 335.63
    propylene carbonate 641.36
    n-methylformamide 545.44
    2-pentanol 2112.63
    n-pentane 547.35
    1-propoxy-2-propanol 1902.52
    1-methoxy-2-propyl acetate 1001.98
    2-(2-methoxypropoxy) propanol 940.14
    mesitylene 278.7
    ε-caprolactone 1231.9
    p-cymene 366.85
    epichlorohydrin 1297.37
    1,1,1-trichloroethane 1174.51
    2-aminoethanol 1020.07
    morpholine-4-carbaldehyde 1211.74
    sulfolane 700.49
    2,2,4-trimethylpentane 219.23
    2-methyltetrahydrofuran 2494.35
    n-hexyl acetate 1262.68
    isooctane 209.15
    2-(2-butoxyethoxy)ethanol 1397.02
    sec-butyl acetate 622.49
    tert-butyl acetate 1009.88
    decalin 245.35
    glycerin 752.72
    diglyme 2066.74
    acrylic acid 510.1
    isopropyl myristate 469.33
    n-butyric acid 1716.42
    acetyl acetate 592.62
    di(2-ethylhexyl) phthalate 363.13
    ethyl propionate 631.16
    nitromethane 820.7
    1,2-diethoxyethane 1453.63
    benzonitrile 744.95
    trioctyl phosphate 291.42
    1-bromopropane 1213.75
    gamma-valerolactone 1570.13
    n-decanol 667.07
    triethyl phosphate 301.59
    4-methyl-2-pentanol 1134.21
    propionitrile 1339.53
    vinylene carbonate 534.19
    1,1,2-trichlorotrifluoroethane 850.32
    DMS 411.86
    cumene 305.91
    2-octanol 817.64
    2-hexanone 931.2
    octyl acetate 583.96
    limonene 611.48
    1,2-dimethoxyethane 2214.75
    ethyl orthosilicate 349.71
    tributyl phosphate 333.64
    diacetone alcohol 1098.8
    N,N-dimethylaniline 471.1
    acrylonitrile 922.71
    aniline 861.63
    1,3-propanediol 1611.13
    bromobenzene 560.75
    dibromomethane 1265.38
    1,1,2,2-tetrachloroethane 1311.4
    2-methyl-cyclohexyl acetate 626.39
    tetrabutyl urea 394.78
    diisobutyl methanol 724.71
    2-phenylethanol 828.46
    styrene 477.72
    dioctyl adipate 514.15
    dimethyl sulfate 212.89
    ethyl butyrate 887.67
    methyl lactate 391.69
    butyl lactate 558.36
    diethyl carbonate 495.05
    propanediol butyl ether 1123.19
    triethyl orthoformate 649.8
    p-tert-butyltoluene 396.56
    methyl 4-tert-butylbenzoate 567.12
    morpholine 3667.87
    tert-butylamine 3151.42
    n-dodecanol 502.99
    dimethoxymethane 861.63
    ethylene carbonate 559.15
    cyrene 481.17
    2-ethoxyethyl acetate 815.93
    2-ethylhexyl acetate 939.53
    1,2,4-trichlorobenzene 504.14
    4-methylpyridine 1386.86
    dibutyl ether 1158.8
    2,6-dimethyl-4-heptanol 724.71
    DEF 923.87
    dimethyl isosorbide 1019.5
    tetrachloroethylene 822.2
    eugenol 520.51
    triacetin 698.54
    span 80 971.24
    1,4-butanediol 544.32
    1,1-dichloroethane 1416.41
    2-methyl-1-pentanol 1362.77
    methyl formate 321.34
    2-methyl-1-butanol 1825.22
    n-decane 239.72
    butyronitrile 1759.42
    3,7-dimethyl-1-octanol 1051.67
    1-chlorooctane 578.28
    1-chlorotetradecane 222.86
    n-nonane 253.49
    undecane 166.94
    tert-butylcyclohexane 273.69
    cyclooctane 216.96
    cyclopentanol 1460.92
    tetrahydropyran 3327.4
    tert-amyl methyl ether 1520.97
    2,5,8-trioxanonane 1305.95
    1-hexene 1394.41
    2-isopropoxyethanol 1116.29
    2,2,2-trifluoroethanol 199.18
    methyl butyrate 842.16

    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