(E)-7-Methyl-3-methyleneocta-4,6-dien-2-ol

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  • Identifiers

    CAS number
    22451-63-4

    Molecular formula
    C10H16O

    SMILES
    CC(C(=C)/C=C/C=C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Herbal 46.59%
    Sweet 45.87%
    Woody 42.26%
    Citrus 39.1%
    Floral 36.97%
    Spicy 35.58%
    Fresh 33.49%
    Lemon 32.92%
    Mint 31.21%
    Green 29.58%

     

    Flavor
    Sweet 39.15%
    Herbal 33.02%
    Spicy 31.37%
    Herb 26.11%
    Citrus 24.9%
    Ocimene 23.61%
    Mouldy 23.36%
    Oriental 23.25%
    Tropical 22.25%
    Woody 22.13%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.84 (weak base)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    229°C

    Flash point

    • 87.77 ˚C est.

  • Synonyms

    • (E)-7-Methyl-3-methyleneocta-4,6-dien-2-ol
    • 22451-63-4
    • (4E)-7-methyl-3-methylideneocta-4,6-dien-2-ol
    • EINECS 245-008-7
    • SCHEMBL19920875
    • SHWZGIXBGZQLQQ-FNORWQNLSA-N
    • DTXSID401021209
    • DB-235281
    • NS00013052
    • 22451-63-4

  • Applications

    For the compound (E)-7-Methyl-3-methyleneocta-4,6-dien-2-ol (CAS 22451-63-4), potential real-world applications include roles as an odor-active constituent and synthetic building block in fragrance chemistry; as a flavor precursor in flavor formulations; and as a fragrance component in cosmetics/personal care. It may also be used in household products to impart aroma, and in industrial manufacturing as an intermediate for fragrance compound synthesis or as a reactive modifier in polymers/plastics or coatings/inks formulations. All uses are subject to local regulations and formulation limits, and require appropriate safety and compatibility assessments.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 726.12
    methanol 717.33
    isopropanol 549.42
    water 1.93
    ethyl acetate 391.0
    n-propanol 587.49
    acetone 354.71
    n-butanol 683.92
    acetonitrile 297.73
    DMF 391.12
    toluene 214.26
    isobutanol 388.81
    1,4-dioxane 715.95
    methyl acetate 333.12
    THF 811.19
    2-butanone 417.07
    n-pentanol 463.79
    sec-butanol 587.69
    n-hexane 232.83
    ethylene glycol 97.1
    NMP 367.23
    cyclohexane 162.72
    DMSO 312.71
    n-butyl acetate 402.63
    n-octanol 215.13
    chloroform 737.95
    n-propyl acetate 259.59
    acetic acid 348.54
    dichloromethane 433.54
    cyclohexanone 394.94
    propylene glycol 222.54
    isopropyl acetate 245.54
    DMAc 471.64
    2-ethoxyethanol 445.93
    isopentanol 525.52
    n-heptane 112.41
    ethyl formate 189.03
    1,2-dichloroethane 271.03
    n-hexanol 649.92
    2-methoxyethanol 614.34
    isobutyl acetate 177.82
    tetrachloromethane 166.0
    n-pentyl acetate 198.8
    transcutol 1365.07
    n-heptanol 239.64
    ethylbenzene 136.98
    MIBK 219.06
    2-propoxyethanol 606.57
    tert-butanol 725.05
    MTBE 694.29
    2-butoxyethanol 318.99
    propionic acid 295.29
    o-xylene 145.72
    formic acid 124.93
    diethyl ether 681.56
    m-xylene 157.18
    p-xylene 160.14
    chlorobenzene 196.79
    dimethyl carbonate 86.48
    n-octane 29.59
    formamide 158.72
    cyclopentanone 358.56
    2-pentanone 360.23
    anisole 267.62
    cyclopentyl methyl ether 412.88
    gamma-butyrolactone 334.13
    1-methoxy-2-propanol 476.79
    pyridine 428.27
    3-pentanone 274.09
    furfural 345.21
    n-dodecane 16.86
    diethylene glycol 308.87
    diisopropyl ether 194.31
    tert-amyl alcohol 743.47
    acetylacetone 230.48
    n-hexadecane 18.97
    acetophenone 200.12
    methyl propionate 252.24
    isopentyl acetate 339.09
    trichloroethylene 515.46
    n-nonanol 186.36
    cyclohexanol 420.02
    benzyl alcohol 204.97
    2-ethylhexanol 348.27
    isooctanol 177.43
    dipropyl ether 388.69
    1,2-dichlorobenzene 172.69
    ethyl lactate 129.83
    propylene carbonate 232.77
    n-methylformamide 203.91
    2-pentanol 497.6
    n-pentane 183.03
    1-propoxy-2-propanol 482.16
    1-methoxy-2-propyl acetate 312.1
    2-(2-methoxypropoxy) propanol 296.85
    mesitylene 101.1
    ε-caprolactone 372.16
    p-cymene 100.39
    epichlorohydrin 421.39
    1,1,1-trichloroethane 358.48
    2-aminoethanol 275.69
    morpholine-4-carbaldehyde 434.29
    sulfolane 317.03
    2,2,4-trimethylpentane 83.62
    2-methyltetrahydrofuran 684.35
    n-hexyl acetate 298.07
    isooctane 58.46
    2-(2-butoxyethoxy)ethanol 424.74
    sec-butyl acetate 213.37
    tert-butyl acetate 288.66
    decalin 76.39
    glycerin 225.92
    diglyme 650.25
    acrylic acid 212.29
    isopropyl myristate 108.04
    n-butyric acid 435.01
    acetyl acetate 182.75
    di(2-ethylhexyl) phthalate 111.68
    ethyl propionate 214.34
    nitromethane 315.46
    1,2-diethoxyethane 467.02
    benzonitrile 208.49
    trioctyl phosphate 82.82
    1-bromopropane 314.87
    gamma-valerolactone 468.08
    n-decanol 131.27
    triethyl phosphate 120.65
    4-methyl-2-pentanol 254.68
    propionitrile 330.9
    vinylene carbonate 195.05
    1,1,2-trichlorotrifluoroethane 369.72
    DMS 160.42
    cumene 103.69
    2-octanol 153.59
    2-hexanone 316.82
    octyl acetate 141.78
    limonene 171.76
    1,2-dimethoxyethane 635.29
    ethyl orthosilicate 141.79
    tributyl phosphate 107.13
    diacetone alcohol 331.6
    N,N-dimethylaniline 189.67
    acrylonitrile 266.92
    aniline 296.45
    1,3-propanediol 371.98
    bromobenzene 184.38
    dibromomethane 376.39
    1,1,2,2-tetrachloroethane 513.4
    2-methyl-cyclohexyl acetate 214.8
    tetrabutyl urea 124.37
    diisobutyl methanol 181.36
    2-phenylethanol 237.58
    styrene 160.55
    dioctyl adipate 148.95
    dimethyl sulfate 116.71
    ethyl butyrate 263.0
    methyl lactate 141.49
    butyl lactate 170.4
    diethyl carbonate 163.6
    propanediol butyl ether 308.53
    triethyl orthoformate 224.0
    p-tert-butyltoluene 103.58
    methyl 4-tert-butylbenzoate 196.03
    morpholine 868.12
    tert-butylamine 577.24
    n-dodecanol 96.69
    dimethoxymethane 279.6
    ethylene carbonate 183.25
    cyrene 219.72
    2-ethoxyethyl acetate 241.36
    2-ethylhexyl acetate 279.77
    1,2,4-trichlorobenzene 221.82
    4-methylpyridine 430.76
    dibutyl ether 268.85
    2,6-dimethyl-4-heptanol 181.36
    DEF 366.78
    dimethyl isosorbide 376.69
    tetrachloroethylene 357.12
    eugenol 195.06
    triacetin 225.84
    span 80 288.93
    1,4-butanediol 152.9
    1,1-dichloroethane 357.96
    2-methyl-1-pentanol 418.37
    methyl formate 122.99
    2-methyl-1-butanol 512.98
    n-decane 33.39
    butyronitrile 383.75
    3,7-dimethyl-1-octanol 228.91
    1-chlorooctane 125.5
    1-chlorotetradecane 42.7
    n-nonane 34.96
    undecane 22.42
    tert-butylcyclohexane 84.16
    cyclooctane 61.43
    cyclopentanol 314.53
    tetrahydropyran 782.27
    tert-amyl methyl ether 530.03
    2,5,8-trioxanonane 417.13
    1-hexene 492.44
    2-isopropoxyethanol 332.15
    2,2,2-trifluoroethanol 95.96
    methyl butyrate 282.35

    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