3,4,4-Trimethylpent-2-enal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    65275-95-8

    Molecular formula
    C8H14O

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

  • Odor profile

    Fragrance
    Herbal 69.13%
    Fruity 55.26%
    Spicy 49.91%
    Woody 49.85%
    Mint 44.28%
    Camphoreous 41.71%
    Green 38.5%
    Fresh 35.24%
    Dry 34.36%
    Citrus 33.02%

     

    Flavor
    Green 59.76%
    Herbal 48.55%
    Woody 44.92%
    Sweet 42.68%
    Citrus 39.86%
    Fruity 39.42%
    Spicy 31.11%
    Floral 30.49%
    Herb 30.32%
    Lavender 28.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.9 (neutral)

    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

    • 53.7 ˚C est.

  • Synonyms

    • 3,4,4-trimethylpent-2-enal
    • 65275-95-8
    • DTXSID00372815
    • AKOS004901010

  • Applications

    Primarily used as a fragrance ingredient and odorant, 3,4,4-Trimethylpent-2-enal may also function as a fragrance fixative in certain formulations. It is commonly evaluated for cosmetic and personal care applications as a scent component. In household products such as air fresheners and cleaners, it contributes to fragrance profiles. It can be considered as a flavor/aroma precursor in appropriate food-grade or flavor formulations, depending on regulatory allowances. In industrial manufacturing, it serves as an intermediate for the synthesis of fragrance-related chemicals and specialty aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 186.16
    methanol 189.41
    isopropanol 162.63
    water 3.43
    ethyl acetate 244.08
    n-propanol 159.51
    acetone 169.13
    n-butanol 133.5
    acetonitrile 179.53
    DMF 233.73
    toluene 109.13
    isobutanol 108.57
    1,4-dioxane 307.05
    methyl acetate 252.17
    THF 331.03
    2-butanone 200.73
    n-pentanol 73.64
    sec-butanol 149.04
    n-hexane 38.91
    ethylene glycol 58.38
    NMP 201.51
    cyclohexane 44.38
    DMSO 123.63
    n-butyl acetate 153.99
    n-octanol 95.38
    chloroform 429.31
    n-propyl acetate 95.7
    acetic acid 111.43
    dichloromethane 256.29
    cyclohexanone 195.83
    propylene glycol 92.71
    isopropyl acetate 131.47
    DMAc 226.29
    2-ethoxyethanol 118.2
    isopentanol 101.87
    n-heptane 39.92
    ethyl formate 112.26
    1,2-dichloroethane 159.98
    n-hexanol 186.1
    2-methoxyethanol 215.53
    isobutyl acetate 64.1
    tetrachloromethane 120.81
    n-pentyl acetate 85.37
    transcutol 364.68
    n-heptanol 91.48
    ethylbenzene 84.77
    MIBK 91.23
    2-propoxyethanol 242.22
    tert-butanol 190.44
    MTBE 155.51
    2-butoxyethanol 138.19
    propionic acid 148.43
    o-xylene 90.25
    formic acid 62.11
    diethyl ether 168.35
    m-xylene 89.41
    p-xylene 109.13
    chlorobenzene 129.18
    dimethyl carbonate 82.45
    n-octane 19.02
    formamide 87.52
    cyclopentanone 224.65
    2-pentanone 145.22
    anisole 154.02
    cyclopentyl methyl ether 156.63
    gamma-butyrolactone 257.28
    1-methoxy-2-propanol 203.2
    pyridine 195.17
    3-pentanone 136.02
    furfural 218.83
    n-dodecane 13.63
    diethylene glycol 151.48
    diisopropyl ether 63.79
    tert-amyl alcohol 156.34
    acetylacetone 167.23
    n-hexadecane 15.33
    acetophenone 120.59
    methyl propionate 189.74
    isopentyl acetate 130.33
    trichloroethylene 327.47
    n-nonanol 83.51
    cyclohexanol 119.44
    benzyl alcohol 92.98
    2-ethylhexanol 112.17
    isooctanol 72.69
    dipropyl ether 120.58
    1,2-dichlorobenzene 138.52
    ethyl lactate 70.38
    propylene carbonate 164.47
    n-methylformamide 138.94
    2-pentanol 105.57
    n-pentane 35.19
    1-propoxy-2-propanol 195.01
    1-methoxy-2-propyl acetate 178.57
    2-(2-methoxypropoxy) propanol 130.91
    mesitylene 63.74
    ε-caprolactone 197.01
    p-cymene 68.52
    epichlorohydrin 234.76
    1,1,1-trichloroethane 266.8
    2-aminoethanol 109.05
    morpholine-4-carbaldehyde 249.17
    sulfolane 203.16
    2,2,4-trimethylpentane 19.83
    2-methyltetrahydrofuran 252.77
    n-hexyl acetate 144.83
    isooctane 16.42
    2-(2-butoxyethoxy)ethanol 159.2
    sec-butyl acetate 82.0
    tert-butyl acetate 137.35
    decalin 30.45
    glycerin 96.74
    diglyme 247.15
    acrylic acid 117.66
    isopropyl myristate 63.19
    n-butyric acid 163.65
    acetyl acetate 138.11
    di(2-ethylhexyl) phthalate 55.74
    ethyl propionate 116.34
    nitromethane 201.61
    1,2-diethoxyethane 142.67
    benzonitrile 113.47
    trioctyl phosphate 42.01
    1-bromopropane 133.91
    gamma-valerolactone 286.88
    n-decanol 62.73
    triethyl phosphate 68.96
    4-methyl-2-pentanol 72.39
    propionitrile 170.14
    vinylene carbonate 150.57
    1,1,2-trichlorotrifluoroethane 183.23
    DMS 132.23
    cumene 65.85
    2-octanol 64.71
    2-hexanone 95.09
    octyl acetate 78.54
    limonene 87.27
    1,2-dimethoxyethane 186.88
    ethyl orthosilicate 67.92
    tributyl phosphate 49.06
    diacetone alcohol 151.52
    N,N-dimethylaniline 103.79
    acrylonitrile 186.51
    aniline 129.18
    1,3-propanediol 127.99
    bromobenzene 136.59
    dibromomethane 196.4
    1,1,2,2-tetrachloroethane 289.33
    2-methyl-cyclohexyl acetate 103.79
    tetrabutyl urea 63.98
    diisobutyl methanol 71.88
    2-phenylethanol 141.84
    styrene 86.43
    dioctyl adipate 76.36
    dimethyl sulfate 107.81
    ethyl butyrate 120.39
    methyl lactate 99.96
    butyl lactate 83.6
    diethyl carbonate 92.96
    propanediol butyl ether 118.51
    triethyl orthoformate 91.5
    p-tert-butyltoluene 73.01
    methyl 4-tert-butylbenzoate 122.76
    morpholine 303.1
    tert-butylamine 130.93
    n-dodecanol 48.13
    dimethoxymethane 164.93
    ethylene carbonate 124.15
    cyrene 108.73
    2-ethoxyethyl acetate 124.88
    2-ethylhexyl acetate 108.07
    1,2,4-trichlorobenzene 158.85
    4-methylpyridine 189.94
    dibutyl ether 87.11
    2,6-dimethyl-4-heptanol 71.88
    DEF 147.98
    dimethyl isosorbide 225.28
    tetrachloroethylene 200.63
    eugenol 119.92
    triacetin 121.64
    span 80 125.23
    1,4-butanediol 48.5
    1,1-dichloroethane 235.98
    2-methyl-1-pentanol 70.02
    methyl formate 107.53
    2-methyl-1-butanol 99.2
    n-decane 23.07
    butyronitrile 142.01
    3,7-dimethyl-1-octanol 94.75
    1-chlorooctane 70.62
    1-chlorotetradecane 31.2
    n-nonane 22.27
    undecane 17.31
    tert-butylcyclohexane 32.81
    cyclooctane 21.51
    cyclopentanol 128.09
    tetrahydropyran 235.72
    tert-amyl methyl ether 125.2
    2,5,8-trioxanonane 171.24
    1-hexene 82.17
    2-isopropoxyethanol 95.88
    2,2,2-trifluoroethanol 71.05
    methyl butyrate 118.31

    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