6-Hydroxy-2,6-dimethylocta-2,7-dien-4-one

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  • Identifiers

    CAS number
    64661-54-7

    Molecular formula
    C10H16O2

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 60.1%
    Floral 58.99%
    Woody 54.97%
    Fruity 54.18%
    Green 51.56%
    Herbal 47.06%
    Fresh 45.59%
    Citrus 42.94%
    Rose 39.65%
    Mint 37.75%

     

    Flavor
    Sweet 37.69%
    Green 36.24%
    Woody 33.11%
    Tropical 29.53%
    Herbal 28.33%
    Berry 24.26%
    Earthy 23.88%
    Fruity 23.81%
    Lavender 23.46%
    Herb 23.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    9.45 (weak base)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    229°C

    Flash point

    • 98.84 ˚C est.

  • Synonyms

    • 6-Hydroxy-2,6-dimethylocta-2,7-dien-4-one
    • DTXSID40801735
    • RefChem:308535
    • DTXCID20752478
    • 6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one
    • 64661-54-7
    • SCHEMBL28568122
    • CHEBI:195784
    • 64661-54-7

  • Applications

    6-Hydroxy-2,6-dimethylocta-2,7-dien-4-one (CAS 64661-54-7) is primarily considered an intermediate and a fragrance-related component in the chemical synthesis pipeline; in perfumery, it may be used as an odorant or as an intermediate for the synthesis of other fragrant compounds; in cosmetics and personal care, it can function as a fragrance ingredient within formulations; in household products and cleaning supplies, it can contribute scent profiles; and in industrial manufacturing, it may be evaluated as an intermediate for the synthesis of additional fragrance materials or specialized chemical applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 667.35
    methanol 1027.87
    isopropanol 479.86
    water 20.2
    ethyl acetate 170.57
    n-propanol 433.8
    acetone 284.33
    n-butanol 394.07
    acetonitrile 185.79
    DMF 510.49
    toluene 64.7
    isobutanol 288.42
    1,4-dioxane 524.91
    methyl acetate 201.26
    THF 708.44
    2-butanone 200.7
    n-pentanol 252.34
    sec-butanol 350.84
    n-hexane 53.03
    ethylene glycol 181.41
    NMP 472.11
    cyclohexane 60.13
    DMSO 252.02
    n-butyl acetate 142.94
    n-octanol 194.52
    chloroform 304.19
    n-propyl acetate 115.25
    acetic acid 440.64
    dichloromethane 173.8
    cyclohexanone 299.01
    propylene glycol 332.9
    isopropyl acetate 122.51
    DMAc 473.53
    2-ethoxyethanol 297.65
    isopentanol 280.57
    n-heptane 38.99
    ethyl formate 179.26
    1,2-dichloroethane 102.49
    n-hexanol 399.97
    2-methoxyethanol 645.73
    isobutyl acetate 94.03
    tetrachloromethane 46.14
    n-pentyl acetate 99.15
    transcutol 731.47
    n-heptanol 159.95
    ethylbenzene 55.14
    MIBK 128.15
    2-propoxyethanol 502.41
    tert-butanol 508.35
    MTBE 231.3
    2-butoxyethanol 235.41
    propionic acid 304.63
    o-xylene 65.12
    formic acid 267.3
    diethyl ether 201.88
    m-xylene 64.78
    p-xylene 76.6
    chlorobenzene 84.06
    dimethyl carbonate 93.42
    n-octane 13.96
    formamide 184.77
    cyclopentanone 298.92
    2-pentanone 173.33
    anisole 128.53
    cyclopentyl methyl ether 247.23
    gamma-butyrolactone 355.92
    1-methoxy-2-propanol 467.81
    pyridine 179.44
    3-pentanone 127.6
    furfural 305.0
    n-dodecane 15.6
    diethylene glycol 391.53
    diisopropyl ether 68.4
    tert-amyl alcohol 380.77
    acetylacetone 171.78
    n-hexadecane 16.45
    acetophenone 114.74
    methyl propionate 164.58
    isopentyl acetate 137.28
    trichloroethylene 192.36
    n-nonanol 165.65
    cyclohexanol 317.91
    benzyl alcohol 138.88
    2-ethylhexanol 172.41
    isooctanol 113.34
    dipropyl ether 136.48
    1,2-dichlorobenzene 79.37
    ethyl lactate 118.14
    propylene carbonate 238.81
    n-methylformamide 267.43
    2-pentanol 241.34
    n-pentane 49.72
    1-propoxy-2-propanol 312.36
    1-methoxy-2-propyl acetate 178.49
    2-(2-methoxypropoxy) propanol 241.18
    mesitylene 47.56
    ε-caprolactone 292.18
    p-cymene 50.51
    epichlorohydrin 276.07
    1,1,1-trichloroethane 123.98
    2-aminoethanol 345.36
    morpholine-4-carbaldehyde 497.66
    sulfolane 311.34
    2,2,4-trimethylpentane 27.32
    2-methyltetrahydrofuran 397.95
    n-hexyl acetate 203.54
    isooctane 20.81
    2-(2-butoxyethoxy)ethanol 323.24
    sec-butyl acetate 90.54
    tert-butyl acetate 150.44
    decalin 29.88
    glycerin 376.96
    diglyme 434.71
    acrylic acid 226.18
    isopropyl myristate 87.95
    n-butyric acid 348.66
    acetyl acetate 126.65
    di(2-ethylhexyl) phthalate 98.12
    ethyl propionate 118.66
    nitromethane 354.8
    1,2-diethoxyethane 170.35
    benzonitrile 126.51
    trioctyl phosphate 77.71
    1-bromopropane 89.95
    gamma-valerolactone 460.79
    n-decanol 120.89
    triethyl phosphate 76.83
    4-methyl-2-pentanol 140.48
    propionitrile 162.2
    vinylene carbonate 210.97
    1,1,2-trichlorotrifluoroethane 293.2
    DMS 126.54
    cumene 49.51
    2-octanol 112.18
    2-hexanone 135.85
    octyl acetate 117.35
    limonene 79.77
    1,2-dimethoxyethane 433.33
    ethyl orthosilicate 79.08
    tributyl phosphate 93.7
    diacetone alcohol 245.15
    N,N-dimethylaniline 108.65
    acrylonitrile 160.25
    aniline 123.52
    1,3-propanediol 417.51
    bromobenzene 59.71
    dibromomethane 126.06
    1,1,2,2-tetrachloroethane 199.52
    2-methyl-cyclohexyl acetate 123.62
    tetrabutyl urea 122.94
    diisobutyl methanol 89.55
    2-phenylethanol 168.86
    styrene 56.35
    dioctyl adipate 120.21
    dimethyl sulfate 119.12
    ethyl butyrate 113.7
    methyl lactate 161.92
    butyl lactate 124.71
    diethyl carbonate 92.27
    propanediol butyl ether 287.05
    triethyl orthoformate 105.16
    p-tert-butyltoluene 54.33
    methyl 4-tert-butylbenzoate 149.46
    morpholine 627.67
    tert-butylamine 295.59
    n-dodecanol 92.01
    dimethoxymethane 296.9
    ethylene carbonate 182.23
    cyrene 208.22
    2-ethoxyethyl acetate 133.34
    2-ethylhexyl acetate 110.07
    1,2,4-trichlorobenzene 102.09
    4-methylpyridine 197.92
    dibutyl ether 132.27
    2,6-dimethyl-4-heptanol 89.55
    DEF 223.26
    dimethyl isosorbide 318.24
    tetrachloroethylene 125.48
    eugenol 159.87
    triacetin 169.03
    span 80 245.97
    1,4-butanediol 161.26
    1,1-dichloroethane 128.45
    2-methyl-1-pentanol 203.78
    methyl formate 209.7
    2-methyl-1-butanol 263.95
    n-decane 24.56
    butyronitrile 192.81
    3,7-dimethyl-1-octanol 156.29
    1-chlorooctane 74.74
    1-chlorotetradecane 35.91
    n-nonane 22.96
    undecane 18.97
    tert-butylcyclohexane 32.21
    cyclooctane 20.58
    cyclopentanol 319.78
    tetrahydropyran 423.98
    tert-amyl methyl ether 188.4
    2,5,8-trioxanonane 325.8
    1-hexene 117.56
    2-isopropoxyethanol 196.87
    2,2,2-trifluoroethanol 147.47
    methyl butyrate 150.56

    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