2,5-Dimethyl-2-vinyl-4-hexenal

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  • Identifiers

    CAS number
    56134-05-5

    Molecular formula
    C10H16O

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

  • Odor profile

    Fragrance
    Fruity 66.38%
    Citrus 60.02%
    Herbal 50.36%
    Green 50.17%
    Fresh 48.32%
    Aldehydic 39.62%
    Floral 31.21%
    Lemon 29.68%
    Lavender 26.63%
    Grapefruit 25.41%

     

    Flavor
    Green 69.0%
    Herbal 59.4%
    Citrus 56.79%
    Sweet 50.65%
    Woody 47.26%
    Herb 41.19%
    Lavender 38.31%
    Floral 38.07%
    Spicy 36.09%
    Lemon 34.54%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.92 (neutral)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    186°C

    Flash point

    • 74.66 ˚C est.

  • Synonyms

    • 2,5-Dimethyl-2-vinylhex-4-enal
    • 56134-05-5
    • 2,5-Dimethyl-2-vinyl-4-hexenal
    • 4-Hexenal, 2-ethenyl-2,5-dimethyl-
    • 2-ethenyl-2,5-dimethylhex-4-enal
    • EINECS 260-006-6
    • QX4080DRHK
    • 2-Ethenyl-2,5-dimethyl-4-hexenal
    • DTXSID10866538
    • 2,5-DIMETHYL-2-VINYL-4-HEXENAL, (+/-)-
    • UNII-QX4080DRHK
    • SCHEMBL2421648
    • DTXCID50814816
    • FGBSITKWTRVADL-UHFFFAOYSA-N
    • NS00012342
    • Q27287539
    • 260-006-6

  • Applications

    For 2,5-Dimethyl-2-vinyl-4-hexenal (CAS 56134-05-5), this compound is viewed as a fragrance ingredient that can function as an odorant and a fixative in perfumery; it may be used in cosmetics and personal care as a fragrance component; it may appear in household products as part of fragrance formulations; it can serve as an intermediate in organic synthesis or as a building block for specialty polymers and plastics or for coating applications; it may act as a reactive monomer or crosslinking component in coating and ink formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 148.56
    methanol 57.85
    isopropanol 202.75
    water 0.86
    ethyl acetate 284.97
    n-propanol 184.12
    acetone 263.17
    n-butanol 192.88
    acetonitrile 201.74
    DMF 279.7
    toluene 151.25
    isobutanol 188.34
    1,4-dioxane 293.92
    methyl acetate 331.06
    THF 463.73
    2-butanone 411.09
    n-pentanol 139.33
    sec-butanol 265.82
    n-hexane 50.77
    ethylene glycol 30.87
    NMP 312.47
    cyclohexane 65.19
    DMSO 160.85
    n-butyl acetate 336.15
    n-octanol 149.15
    chloroform 715.13
    n-propyl acetate 212.12
    acetic acid 145.67
    dichloromethane 537.8
    cyclohexanone 433.08
    propylene glycol 91.06
    isopropyl acetate 194.35
    DMAc 355.07
    2-ethoxyethanol 142.88
    isopentanol 200.35
    n-heptane 57.4
    ethyl formate 181.99
    1,2-dichloroethane 275.9
    n-hexanol 251.45
    2-methoxyethanol 187.28
    isobutyl acetate 160.87
    tetrachloromethane 127.83
    n-pentyl acetate 175.64
    transcutol 429.94
    n-heptanol 141.76
    ethylbenzene 142.17
    MIBK 187.64
    2-propoxyethanol 251.7
    tert-butanol 312.83
    MTBE 268.14
    2-butoxyethanol 175.38
    propionic acid 197.93
    o-xylene 147.61
    formic acid 31.47
    diethyl ether 158.29
    m-xylene 143.25
    p-xylene 207.07
    chlorobenzene 202.47
    dimethyl carbonate 83.28
    n-octane 28.2
    formamide 57.09
    cyclopentanone 468.17
    2-pentanone 249.92
    anisole 235.26
    cyclopentyl methyl ether 214.24
    gamma-butyrolactone 430.75
    1-methoxy-2-propanol 208.01
    pyridine 288.18
    3-pentanone 217.37
    furfural 383.63
    n-dodecane 27.01
    diethylene glycol 131.95
    diisopropyl ether 84.93
    tert-amyl alcohol 326.58
    acetylacetone 261.04
    n-hexadecane 29.53
    acetophenone 234.34
    methyl propionate 214.35
    isopentyl acetate 317.79
    trichloroethylene 641.86
    n-nonanol 136.07
    cyclohexanol 202.79
    benzyl alcohol 164.16
    2-ethylhexanol 207.53
    isooctanol 129.73
    dipropyl ether 165.57
    1,2-dichlorobenzene 206.81
    ethyl lactate 116.5
    propylene carbonate 332.77
    n-methylformamide 119.18
    2-pentanol 174.78
    n-pentane 41.95
    1-propoxy-2-propanol 253.89
    1-methoxy-2-propyl acetate 265.44
    2-(2-methoxypropoxy) propanol 230.3
    mesitylene 106.22
    ε-caprolactone 368.54
    p-cymene 138.89
    epichlorohydrin 429.76
    1,1,1-trichloroethane 462.3
    2-aminoethanol 77.7
    morpholine-4-carbaldehyde 304.84
    sulfolane 387.39
    2,2,4-trimethylpentane 44.3
    2-methyltetrahydrofuran 410.38
    n-hexyl acetate 272.92
    isooctane 37.03
    2-(2-butoxyethoxy)ethanol 234.76
    sec-butyl acetate 185.96
    tert-butyl acetate 233.62
    decalin 59.26
    glycerin 89.33
    diglyme 349.92
    acrylic acid 137.58
    isopropyl myristate 143.35
    n-butyric acid 261.1
    acetyl acetate 175.39
    di(2-ethylhexyl) phthalate 124.77
    ethyl propionate 187.99
    nitromethane 258.53
    1,2-diethoxyethane 211.55
    benzonitrile 235.35
    trioctyl phosphate 98.5
    1-bromopropane 235.63
    gamma-valerolactone 464.37
    n-decanol 112.95
    triethyl phosphate 129.51
    4-methyl-2-pentanol 129.17
    propionitrile 223.48
    vinylene carbonate 264.14
    1,1,2-trichlorotrifluoroethane 278.39
    DMS 183.84
    cumene 125.6
    2-octanol 116.06
    2-hexanone 244.01
    octyl acetate 168.43
    limonene 187.74
    1,2-dimethoxyethane 270.59
    ethyl orthosilicate 120.53
    tributyl phosphate 113.86
    diacetone alcohol 265.73
    N,N-dimethylaniline 180.34
    acrylonitrile 225.03
    aniline 165.47
    1,3-propanediol 119.58
    bromobenzene 216.82
    dibromomethane 379.79
    1,1,2,2-tetrachloroethane 497.31
    2-methyl-cyclohexyl acetate 239.98
    tetrabutyl urea 139.2
    diisobutyl methanol 138.6
    2-phenylethanol 211.23
    styrene 147.62
    dioctyl adipate 190.61
    dimethyl sulfate 130.59
    ethyl butyrate 263.33
    methyl lactate 115.43
    butyl lactate 147.79
    diethyl carbonate 177.62
    propanediol butyl ether 174.68
    triethyl orthoformate 161.6
    p-tert-butyltoluene 138.22
    methyl 4-tert-butylbenzoate 247.53
    morpholine 310.94
    tert-butylamine 211.58
    n-dodecanol 95.97
    dimethoxymethane 146.31
    ethylene carbonate 208.12
    cyrene 203.8
    2-ethoxyethyl acetate 196.86
    2-ethylhexyl acetate 260.23
    1,2,4-trichlorobenzene 257.57
    4-methylpyridine 335.15
    dibutyl ether 158.93
    2,6-dimethyl-4-heptanol 138.6
    DEF 232.87
    dimethyl isosorbide 379.27
    tetrachloroethylene 268.39
    eugenol 208.12
    triacetin 243.91
    span 80 220.72
    1,4-butanediol 58.39
    1,1-dichloroethane 431.23
    2-methyl-1-pentanol 172.08
    methyl formate 103.57
    2-methyl-1-butanol 205.02
    n-decane 38.02
    butyronitrile 246.98
    3,7-dimethyl-1-octanol 180.96
    1-chlorooctane 119.3
    1-chlorotetradecane 62.76
    n-nonane 36.8
    undecane 31.67
    tert-butylcyclohexane 66.5
    cyclooctane 28.58
    cyclopentanol 230.04
    tetrahydropyran 331.2
    tert-amyl methyl ether 220.42
    2,5,8-trioxanonane 277.62
    1-hexene 134.98
    2-isopropoxyethanol 144.97
    2,2,2-trifluoroethanol 64.27
    methyl butyrate 262.09

    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