2-Methylpent-2-enal

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  • Identifiers

    Molecular formula
    C6H10O

    SMILES
    CCC=C(C)C=O

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Green 92.58%
    Fruity 88.14%
    Pungent 66.0%
    Fresh 53.81%
    Aldehydic 51.38%
    Sharp 48.19%
    Ethereal 46.8%
    Apple 46.14%
    Fatty 44.21%
    Grassy 44.1%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    129°C

    Flash point est.
    28.79 ˚C

  • Synonyms

    • 2-Methylpent-2-enal
    • 2-methyl-pent-2-enal
    • 2-Methyl-2-penten-1-al
    • 2-Methyl-2-pentene-1-al
    • DTXSID3052301
    • 2-methyl 2-pentenal
    • AKOS025243213
    • SY113807
    • DB-054134
    • NS00001026
    • D91397

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 618.35
    methanol 818.46
    isopropanol 405.62
    water 1.87
    ethyl acetate 432.4
    n-propanol 455.81
    acetone 424.98
    n-butanol 496.72
    acetonitrile 467.98
    DMF 439.96
    toluene 195.72
    isobutanol 322.47
    1,4-dioxane 692.45
    methyl acetate 399.51
    THF 645.16
    2-butanone 394.7
    n-pentanol 330.91
    sec-butanol 332.84
    n-hexane 129.3
    ethylene glycol 123.19
    NMP 484.64
    cyclohexane 124.17
    DMSO 383.81
    n-butyl acetate 624.14
    n-octanol 226.37
    chloroform 1200.31
    n-propyl acetate 320.17
    acetic acid 593.72
    dichloromethane 966.81
    cyclohexanone 559.27
    propylene glycol 123.84
    isopropyl acetate 234.95
    DMAc 259.35
    2-ethoxyethanol 340.65
    isopentanol 393.69
    n-heptane 94.25
    ethyl formate 294.01
    1,2-dichloroethane 529.29
    n-hexanol 565.88
    2-methoxyethanol 520.15
    isobutyl acetate 198.62
    tetrachloromethane 313.86
    n-pentyl acetate 279.95
    transcutol 1508.71
    n-heptanol 225.8
    ethylbenzene 136.49
    MIBK 210.18
    2-propoxyethanol 582.98
    tert-butanol 508.51
    MTBE 397.31
    2-butoxyethanol 338.02
    propionic acid 412.12
    o-xylene 129.23
    formic acid 216.18
    diethyl ether 435.99
    m-xylene 139.37
    p-xylene 165.46
    chlorobenzene 332.8
    dimethyl carbonate 91.08
    n-octane 37.87
    formamide 207.44
    cyclopentanone 567.96
    2-pentanone 344.72
    anisole 244.84
    cyclopentyl methyl ether 357.75
    gamma-butyrolactone 661.96
    1-methoxy-2-propanol 330.78
    pyridine 498.71
    3-pentanone 227.55
    furfural 581.99
    n-dodecane 27.03
    diethylene glycol 380.02
    diisopropyl ether 135.8
    tert-amyl alcohol 406.14
    acetylacetone 301.44
    n-hexadecane 30.4
    acetophenone 224.98
    methyl propionate 253.75
    isopentyl acetate 498.12
    trichloroethylene 1038.62
    n-nonanol 191.44
    cyclohexanol 359.69
    benzyl alcohol 204.18
    2-ethylhexanol 355.13
    isooctanol 179.1
    dipropyl ether 319.07
    1,2-dichlorobenzene 302.13
    ethyl lactate 128.6
    propylene carbonate 385.07
    n-methylformamide 299.78
    2-pentanol 305.15
    n-pentane 99.0
    1-propoxy-2-propanol 449.32
    1-methoxy-2-propyl acetate 351.53
    2-(2-methoxypropoxy) propanol 308.41
    mesitylene 99.92
    ε-caprolactone 500.07
    p-cymene 126.29
    epichlorohydrin 632.97
    1,1,1-trichloroethane 633.61
    2-aminoethanol 237.77
    morpholine-4-carbaldehyde 522.11
    sulfolane 591.06
    2,2,4-trimethylpentane 51.65
    2-methyltetrahydrofuran 610.03
    n-hexyl acetate 385.03
    isooctane 43.4
    2-(2-butoxyethoxy)ethanol 438.17
    sec-butyl acetate 212.38
    tert-butyl acetate 263.91
    decalin 63.25
    glycerin 170.53
    diglyme 684.26
    acrylic acid 327.37
    isopropyl myristate 137.72
    n-butyric acid 572.36
    acetyl acetate 232.76
    di(2-ethylhexyl) phthalate 133.25
    ethyl propionate 235.05
    nitromethane 617.69
    1,2-diethoxyethane 555.88
    benzonitrile 359.96
    trioctyl phosphate 100.85
    1-bromopropane 439.9
    gamma-valerolactone 630.54
    n-decanol 137.82
    triethyl phosphate 125.02
    4-methyl-2-pentanol 171.82
    propionitrile 395.14
    vinylene carbonate 350.88
    1,1,2-trichlorotrifluoroethane 464.99
    DMS 228.52
    cumene 103.19
    2-octanol 158.14
    2-hexanone 327.8
    octyl acetate 178.14
    limonene 198.46
    1,2-dimethoxyethane 518.95
    ethyl orthosilicate 136.56
    tributyl phosphate 129.24
    diacetone alcohol 279.86
    N,N-dimethylaniline 155.98
    acrylonitrile 437.22
    aniline 250.88
    1,3-propanediol 338.74
    bromobenzene 349.37
    dibromomethane 698.74
    1,1,2,2-tetrachloroethane 715.66
    2-methyl-cyclohexyl acetate 237.53
    tetrabutyl urea 151.25
    diisobutyl methanol 172.86
    2-phenylethanol 278.81
    styrene 171.87
    dioctyl adipate 180.38
    dimethyl sulfate 133.39
    ethyl butyrate 338.73
    methyl lactate 125.64
    butyl lactate 202.93
    diethyl carbonate 207.22
    propanediol butyl ether 282.02
    triethyl orthoformate 215.45
    p-tert-butyltoluene 117.56
    methyl 4-tert-butylbenzoate 200.84
    morpholine 687.8
    tert-butylamine 366.03
    n-dodecanol 103.29
    dimethoxymethane 260.24
    ethylene carbonate 286.36
    cyrene 195.95
    2-ethoxyethyl acetate 343.69
    2-ethylhexyl acetate 380.95
    1,2,4-trichlorobenzene 328.55
    4-methylpyridine 479.15
    dibutyl ether 297.9
    2,6-dimethyl-4-heptanol 172.86
    DEF 353.7
    dimethyl isosorbide 439.82
    tetrachloroethylene 565.77
    eugenol 233.38
    triacetin 260.85
    span 80 287.67
    1,4-butanediol 147.8
    1,1-dichloroethane 650.29
    2-methyl-1-pentanol 301.79
    methyl formate 232.6
    2-methyl-1-butanol 365.63
    n-decane 47.6
    butyronitrile 496.46
    3,7-dimethyl-1-octanol 223.74
    1-chlorooctane 169.79
    1-chlorotetradecane 64.0
    n-nonane 50.24
    undecane 34.34
    tert-butylcyclohexane 68.14
    cyclooctane 43.28
    cyclopentanol 338.0
    tetrahydropyran 656.34
    tert-amyl methyl ether 277.42
    2,5,8-trioxanonane 442.57
    1-hexene 328.06
    2-isopropoxyethanol 258.61
    2,2,2-trifluoroethanol 169.25
    methyl butyrate 340.17

    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