3,5-Dimethyl-2-hexenal

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  • Identifiers

    Molecular formula
    C8H14O

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

  • Odor profile

    Fruity 71.64%
    Herbal 71.61%
    Green 69.79%
    Spicy 56.75%
    Sweet 55.26%
    Fresh 49.27%
    Woody 45.13%
    Fatty 40.86%
    Mint 39.97%
    Citrus 39.36%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.67 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    173°C

    Flash point est.
    59.22 ˚C

  • Synonyms

    • 3,5-dimethyl-2-hexenal
    • FYCVUMXOMJHAEM-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 971.73
    methanol 853.81
    isopropanol 762.06
    water 1.04
    ethyl acetate 971.63
    n-propanol 776.16
    acetone 1256.14
    n-butanol 790.95
    acetonitrile 743.78
    DMF 779.92
    toluene 316.28
    isobutanol 614.98
    1,4-dioxane 1254.82
    methyl acetate 757.91
    THF 2579.41
    2-butanone 947.77
    n-pentanol 401.57
    sec-butanol 631.86
    n-hexane 223.39
    ethylene glycol 162.59
    NMP 1221.63
    cyclohexane 318.64
    DMSO 823.89
    n-butyl acetate 988.11
    n-octanol 342.79
    chloroform 1740.9
    n-propyl acetate 450.68
    acetic acid 978.68
    dichloromethane 1614.57
    cyclohexanone 1551.33
    propylene glycol 266.0
    isopropyl acetate 549.26
    DMAc 471.03
    2-ethoxyethanol 414.24
    isopentanol 633.04
    n-heptane 191.32
    ethyl formate 503.36
    1,2-dichloroethane 997.79
    n-hexanol 969.91
    2-methoxyethanol 852.44
    isobutyl acetate 302.09
    tetrachloromethane 378.04
    n-pentyl acetate 398.86
    transcutol 1794.38
    n-heptanol 298.46
    ethylbenzene 183.65
    MIBK 508.2
    2-propoxyethanol 1048.83
    tert-butanol 890.97
    MTBE 802.26
    2-butoxyethanol 424.44
    propionic acid 741.06
    o-xylene 227.75
    formic acid 228.71
    diethyl ether 880.34
    m-xylene 285.05
    p-xylene 218.35
    chlorobenzene 539.05
    dimethyl carbonate 218.6
    n-octane 55.96
    formamide 226.05
    cyclopentanone 1838.22
    2-pentanone 892.73
    anisole 329.93
    cyclopentyl methyl ether 1183.5
    gamma-butyrolactone 1854.67
    1-methoxy-2-propanol 701.32
    pyridine 772.2
    3-pentanone 596.24
    furfural 985.58
    n-dodecane 39.31
    diethylene glycol 586.4
    diisopropyl ether 291.61
    tert-amyl alcohol 666.36
    acetylacetone 848.68
    n-hexadecane 46.01
    acetophenone 295.35
    methyl propionate 650.28
    isopentyl acetate 794.29
    trichloroethylene 1886.77
    n-nonanol 270.96
    cyclohexanol 814.75
    benzyl alcohol 243.84
    2-ethylhexanol 510.06
    isooctanol 227.02
    dipropyl ether 585.29
    1,2-dichlorobenzene 474.54
    ethyl lactate 200.41
    propylene carbonate 977.28
    n-methylformamide 472.55
    2-pentanol 581.96
    n-pentane 207.27
    1-propoxy-2-propanol 802.49
    1-methoxy-2-propyl acetate 775.79
    2-(2-methoxypropoxy) propanol 419.24
    mesitylene 195.71
    ε-caprolactone 1122.66
    p-cymene 200.74
    epichlorohydrin 1572.9
    1,1,1-trichloroethane 1235.52
    2-aminoethanol 325.99
    morpholine-4-carbaldehyde 881.09
    sulfolane 1803.23
    2,2,4-trimethylpentane 84.85
    2-methyltetrahydrofuran 1879.05
    n-hexyl acetate 704.27
    isooctane 82.82
    2-(2-butoxyethoxy)ethanol 608.16
    sec-butyl acetate 320.57
    tert-butyl acetate 666.81
    decalin 112.48
    glycerin 298.79
    diglyme 885.3
    acrylic acid 547.82
    isopropyl myristate 249.24
    n-butyric acid 1090.43
    acetyl acetate 526.58
    di(2-ethylhexyl) phthalate 209.71
    ethyl propionate 389.79
    nitromethane 1114.6
    1,2-diethoxyethane 667.28
    benzonitrile 399.99
    trioctyl phosphate 177.98
    1-bromopropane 737.54
    gamma-valerolactone 1666.41
    n-decanol 193.58
    triethyl phosphate 186.41
    4-methyl-2-pentanol 323.28
    propionitrile 618.58
    vinylene carbonate 679.56
    1,1,2-trichlorotrifluoroethane 811.67
    DMS 417.36
    cumene 138.86
    2-octanol 220.24
    2-hexanone 520.95
    octyl acetate 309.63
    limonene 389.34
    1,2-dimethoxyethane 702.21
    ethyl orthosilicate 191.65
    tributyl phosphate 232.83
    diacetone alcohol 691.59
    N,N-dimethylaniline 204.93
    acrylonitrile 585.42
    aniline 362.58
    1,3-propanediol 499.92
    bromobenzene 545.66
    dibromomethane 1176.65
    1,1,2,2-tetrachloroethane 1263.29
    2-methyl-cyclohexyl acetate 406.16
    tetrabutyl urea 266.36
    diisobutyl methanol 282.34
    2-phenylethanol 416.39
    styrene 203.84
    dioctyl adipate 321.08
    dimethyl sulfate 328.62
    ethyl butyrate 505.91
    methyl lactate 269.85
    butyl lactate 327.52
    diethyl carbonate 283.04
    propanediol butyl ether 438.95
    triethyl orthoformate 329.89
    p-tert-butyltoluene 204.6
    methyl 4-tert-butylbenzoate 348.47
    morpholine 1383.05
    tert-butylamine 609.84
    n-dodecanol 147.56
    dimethoxymethane 619.51
    ethylene carbonate 614.19
    cyrene 332.44
    2-ethoxyethyl acetate 487.04
    2-ethylhexyl acetate 603.68
    1,2,4-trichlorobenzene 533.39
    4-methylpyridine 709.9
    dibutyl ether 435.8
    2,6-dimethyl-4-heptanol 282.34
    DEF 654.94
    dimethyl isosorbide 791.78
    tetrachloroethylene 871.41
    eugenol 322.31
    triacetin 440.09
    span 80 439.14
    1,4-butanediol 168.77
    1,1-dichloroethane 1205.22
    2-methyl-1-pentanol 342.44
    methyl formate 427.6
    2-methyl-1-butanol 579.64
    n-decane 70.32
    butyronitrile 751.08
    3,7-dimethyl-1-octanol 330.06
    1-chlorooctane 271.03
    1-chlorotetradecane 105.37
    n-nonane 75.75
    undecane 50.83
    tert-butylcyclohexane 109.9
    cyclooctane 103.76
    cyclopentanol 946.2
    tetrahydropyran 1626.77
    tert-amyl methyl ether 530.72
    2,5,8-trioxanonane 564.14
    1-hexene 483.39
    2-isopropoxyethanol 327.61
    2,2,2-trifluoroethanol 275.12
    methyl butyrate 520.16

    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