2,7-Dimethyloct-6-en-4-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    66471-49-6

    Molecular formula
    C10H18O

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 71.11%
    Herbal 67.84%
    Green 60.64%
    Sweet 50.39%
    Mint 38.96%
    Citrus 37.33%
    Fresh 34.52%
    Spicy 34.03%
    Floral 32.33%
    Apple 30.74%

     

    Flavor
    Green 66.31%
    Fruity 57.13%
    Herbal 46.48%
    Sweet 44.75%
    Tropical 31.86%
    Floral 31.78%
    Berry 29.36%
    Herb 27.54%
    Spicy 27.36%
    Fruit 26.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.41 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 66.88 ˚C est.

  • Synonyms

    • 2,7-Dimethyloct-6-en-4-one
    • 66471-49-6
    • EINECS 266-374-4
    • 2,7-Dimethyl-6-octen-4-one
    • SCHEMBL8732211
    • DTXSID90985110
    • FLWSXFDNJHUPRX-UHFFFAOYSA-N
    • NS00012323
    • 66471-49-6

  • Applications

    2,7-Dimethyloct-6-en-4-one (CAS 66471-49-6) is primarily used as a fragrance intermediate and odorant, contributing to scent profiles and sometimes serving as a fixative to extend aroma in perfumery. It may be employed in cosmetics and personal care formulations as a fragrance component, and in household products such as air fresheners and cleaners for odor performance. In industrial manufacturing it can function as an organic synthesis intermediate for specialty chemicals and fragrance-related derivatives, and it may serve as a building block for plastics/polymers or coatings where an aliphatic ketone with an unsaturated bond is advantageous. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1146.42
    methanol 1219.42
    isopropanol 1261.22
    water 6.2
    ethyl acetate 584.34
    n-propanol 1083.65
    acetone 909.05
    n-butanol 1090.39
    acetonitrile 547.34
    DMF 1076.01
    toluene 415.79
    isobutanol 957.15
    1,4-dioxane 1216.88
    methyl acetate 617.73
    THF 1506.39
    2-butanone 774.72
    n-pentanol 720.85
    sec-butanol 1147.6
    n-hexane 661.84
    ethylene glycol 307.74
    NMP 946.5
    cyclohexane 598.92
    DMSO 506.18
    n-butyl acetate 684.03
    n-octanol 582.55
    chloroform 2317.76
    n-propyl acetate 376.44
    acetic acid 1068.66
    dichloromethane 1058.07
    cyclohexanone 1109.83
    propylene glycol 580.62
    isopropyl acetate 471.95
    DMAc 1027.92
    2-ethoxyethanol 594.68
    isopentanol 982.38
    n-heptane 287.03
    ethyl formate 389.3
    1,2-dichloroethane 725.0
    n-hexanol 1333.86
    2-methoxyethanol 1054.12
    isobutyl acetate 343.06
    tetrachloromethane 530.44
    n-pentyl acetate 397.47
    transcutol 1647.85
    n-heptanol 536.49
    ethylbenzene 329.07
    MIBK 473.82
    2-propoxyethanol 1229.06
    tert-butanol 1593.11
    MTBE 1197.99
    2-butoxyethanol 668.58
    propionic acid 832.29
    o-xylene 333.84
    formic acid 320.89
    diethyl ether 809.59
    m-xylene 359.41
    p-xylene 450.52
    chlorobenzene 498.05
    dimethyl carbonate 202.98
    n-octane 112.59
    formamide 238.29
    cyclopentanone 944.36
    2-pentanone 628.59
    anisole 457.6
    cyclopentyl methyl ether 829.67
    gamma-butyrolactone 822.86
    1-methoxy-2-propanol 946.05
    pyridine 694.14
    3-pentanone 510.02
    furfural 771.42
    n-dodecane 78.0
    diethylene glycol 735.26
    diisopropyl ether 363.04
    tert-amyl alcohol 1252.12
    acetylacetone 550.49
    n-hexadecane 85.54
    acetophenone 401.71
    methyl propionate 445.13
    isopentyl acetate 693.86
    trichloroethylene 1357.33
    n-nonanol 487.48
    cyclohexanol 1077.98
    benzyl alcohol 416.35
    2-ethylhexanol 682.98
    isooctanol 419.2
    dipropyl ether 573.38
    1,2-dichlorobenzene 454.33
    ethyl lactate 281.11
    propylene carbonate 622.75
    n-methylformamide 468.6
    2-pentanol 861.3
    n-pentane 409.98
    1-propoxy-2-propanol 925.71
    1-methoxy-2-propyl acetate 612.64
    2-(2-methoxypropoxy) propanol 562.92
    mesitylene 269.92
    ε-caprolactone 900.92
    p-cymene 240.62
    epichlorohydrin 894.8
    1,1,1-trichloroethane 1138.69
    2-aminoethanol 602.78
    morpholine-4-carbaldehyde 963.51
    sulfolane 794.15
    2,2,4-trimethylpentane 198.45
    2-methyltetrahydrofuran 1213.14
    n-hexyl acetate 722.71
    isooctane 157.03
    2-(2-butoxyethoxy)ethanol 734.75
    sec-butyl acetate 362.6
    tert-butyl acetate 596.93
    decalin 253.27
    glycerin 594.24
    diglyme 1043.95
    acrylic acid 649.51
    isopropyl myristate 290.69
    n-butyric acid 1066.12
    acetyl acetate 412.37
    di(2-ethylhexyl) phthalate 270.07
    ethyl propionate 344.79
    nitromethane 790.01
    1,2-diethoxyethane 612.64
    benzonitrile 484.54
    trioctyl phosphate 204.97
    1-bromopropane 711.16
    gamma-valerolactone 1180.84
    n-decanol 357.49
    triethyl phosphate 215.38
    4-methyl-2-pentanol 530.45
    propionitrile 574.39
    vinylene carbonate 512.82
    1,1,2-trichlorotrifluoroethane 1005.01
    DMS 424.45
    cumene 267.74
    2-octanol 383.42
    2-hexanone 499.87
    octyl acetate 361.81
    limonene 410.23
    1,2-dimethoxyethane 1001.03
    ethyl orthosilicate 239.78
    tributyl phosphate 243.05
    diacetone alcohol 680.61
    N,N-dimethylaniline 359.36
    acrylonitrile 523.55
    aniline 493.5
    1,3-propanediol 796.41
    bromobenzene 479.43
    dibromomethane 915.84
    1,1,2,2-tetrachloroethane 1530.67
    2-methyl-cyclohexyl acetate 414.92
    tetrabutyl urea 295.69
    diisobutyl methanol 380.46
    2-phenylethanol 536.68
    styrene 343.96
    dioctyl adipate 329.96
    dimethyl sulfate 268.72
    ethyl butyrate 389.78
    methyl lactate 354.04
    butyl lactate 384.9
    diethyl carbonate 278.82
    propanediol butyl ether 717.64
    triethyl orthoformate 358.1
    p-tert-butyltoluene 250.14
    methyl 4-tert-butylbenzoate 423.61
    morpholine 1362.74
    tert-butylamine 1177.29
    n-dodecanol 274.77
    dimethoxymethane 528.39
    ethylene carbonate 479.8
    cyrene 400.67
    2-ethoxyethyl acetate 426.4
    2-ethylhexyl acetate 536.13
    1,2,4-trichlorobenzene 564.16
    4-methylpyridine 792.55
    dibutyl ether 529.52
    2,6-dimethyl-4-heptanol 380.46
    DEF 664.86
    dimethyl isosorbide 652.66
    tetrachloroethylene 1022.78
    eugenol 426.77
    triacetin 501.22
    span 80 617.96
    1,4-butanediol 321.75
    1,1-dichloroethane 1063.84
    2-methyl-1-pentanol 673.39
    methyl formate 340.03
    2-methyl-1-butanol 923.91
    n-decane 139.9
    butyronitrile 707.05
    3,7-dimethyl-1-octanol 569.91
    1-chlorooctane 370.25
    1-chlorotetradecane 154.81
    n-nonane 151.43
    undecane 98.61
    tert-butylcyclohexane 255.46
    cyclooctane 211.29
    cyclopentanol 912.88
    tetrahydropyran 1342.41
    tert-amyl methyl ether 849.59
    2,5,8-trioxanonane 651.33
    1-hexene 955.26
    2-isopropoxyethanol 498.03
    2,2,2-trifluoroethanol 378.78
    methyl butyrate 453.96

    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