2-Pentenal, 4-methyl-

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  • Identifiers

    CAS number
    5362-56-1

    Molecular formula
    C6H10O

    SMILES
    CC(C)C=CC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 88.39%
    Pungent 69.49%
    Fruity 69.12%
    Aldehydic 59.62%
    Fresh 57.6%
    Spicy 56.3%
    Fatty 50.57%
    Herbal 50.34%
    Grassy 46.78%
    Apple 46.22%

     

    Flavor
    Green 35.51%
    Pungent 34.66%
    Fruity 26.73%
    Fatty 26.03%
    Spicy 25.86%
    Ethereal 25.83%
    Sweet 25.38%
    Sharp 21.49%
    Hazelnut 21.42%
    Filbert 20.54%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.12 (neutral)

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    148°C

    Flash point

    • 26.38 ˚C est.

    Solubility expt.

    • Slightly soluble in water; soluble in fats
    • soluble (in ethanol)

  • Synonyms

    • 2-Pentenal, 4-methyl-
    • 4-Methylpent-2-enal
    • 5362-56-1
    • 4-methylpentenal
    • 4-methyl-pent-2-enal
    • DTXSID0063816
    • AKOS017391035
    • SY274035
    • NS00022324

  • Applications

    2-Pentenal, 4-methyl- (CAS 5362-56-1) is a short-chain enal aldehyde commonly used as a chemical intermediate and building block in industrial synthesis. In the perfumery and flavor sectors, it is employed as an odorant or as a precursor to complex aroma compounds used in fragrances and flavor formulations; in cosmetics and personal care, it can serve as a fragrance ingredient or a precursor to fragrance-derived compounds in formulated products. Additionally, due to its aldehyde functionality, it is used as a building block for the synthesis of polymers and plastics or other industrial chemicals, and as a functional intermediate in processes for coatings and adhesives, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 159.82
    methanol 199.21
    isopropanol 119.88
    water 0.99
    ethyl acetate 95.37
    n-propanol 124.89
    acetone 124.65
    n-butanol 122.22
    acetonitrile 75.39
    DMF 207.55
    toluene 43.57
    isobutanol 86.2
    1,4-dioxane 145.38
    methyl acetate 101.33
    THF 221.51
    2-butanone 106.04
    n-pentanol 74.56
    sec-butanol 93.96
    n-hexane 29.98
    ethylene glycol 65.52
    NMP 183.28
    cyclohexane 27.55
    DMSO 158.99
    n-butyl acetate 130.57
    n-octanol 68.75
    chloroform 241.98
    n-propyl acetate 60.09
    acetic acid 121.98
    dichloromethane 163.48
    cyclohexanone 147.15
    propylene glycol 86.07
    isopropyl acetate 58.77
    DMAc 133.17
    2-ethoxyethanol 90.9
    isopentanol 95.72
    n-heptane 30.59
    ethyl formate 64.39
    1,2-dichloroethane 111.81
    n-hexanol 181.1
    2-methoxyethanol 174.09
    isobutyl acetate 45.64
    tetrachloromethane 53.57
    n-pentyl acetate 58.05
    transcutol 359.23
    n-heptanol 64.86
    ethylbenzene 33.59
    MIBK 59.81
    2-propoxyethanol 209.96
    tert-butanol 140.86
    MTBE 89.43
    2-butoxyethanol 104.43
    propionic acid 116.27
    o-xylene 39.06
    formic acid 53.34
    diethyl ether 83.21
    m-xylene 44.35
    p-xylene 39.84
    chlorobenzene 69.11
    dimethyl carbonate 36.41
    n-octane 10.54
    formamide 46.69
    cyclopentanone 175.21
    2-pentanone 94.81
    anisole 68.55
    cyclopentyl methyl ether 102.1
    gamma-butyrolactone 184.17
    1-methoxy-2-propanol 150.12
    pyridine 103.73
    3-pentanone 69.06
    furfural 169.8
    n-dodecane 8.58
    diethylene glycol 148.58
    diisopropyl ether 30.26
    tert-amyl alcohol 103.94
    acetylacetone 94.57
    n-hexadecane 9.35
    acetophenone 65.97
    methyl propionate 81.53
    isopentyl acetate 105.58
    trichloroethylene 216.31
    n-nonanol 59.2
    cyclohexanol 97.75
    benzyl alcohol 56.71
    2-ethylhexanol 99.13
    isooctanol 51.82
    dipropyl ether 84.83
    1,2-dichlorobenzene 75.08
    ethyl lactate 52.63
    propylene carbonate 113.95
    n-methylformamide 94.1
    2-pentanol 80.62
    n-pentane 22.72
    1-propoxy-2-propanol 173.53
    1-methoxy-2-propyl acetate 117.76
    2-(2-methoxypropoxy) propanol 118.22
    mesitylene 33.81
    ε-caprolactone 122.04
    p-cymene 40.86
    epichlorohydrin 162.32
    1,1,1-trichloroethane 128.51
    2-aminoethanol 101.68
    morpholine-4-carbaldehyde 175.33
    sulfolane 218.62
    2,2,4-trimethylpentane 13.95
    2-methyltetrahydrofuran 143.85
    n-hexyl acetate 93.51
    isooctane 12.54
    2-(2-butoxyethoxy)ethanol 149.76
    sec-butyl acetate 45.42
    tert-butyl acetate 73.91
    decalin 18.19
    glycerin 98.23
    diglyme 213.24
    acrylic acid 102.07
    isopropyl myristate 44.09
    n-butyric acid 141.79
    acetyl acetate 57.05
    di(2-ethylhexyl) phthalate 47.01
    ethyl propionate 58.69
    nitromethane 136.4
    1,2-diethoxyethane 110.75
    benzonitrile 74.67
    trioctyl phosphate 36.63
    1-bromopropane 82.99
    gamma-valerolactone 199.72
    n-decanol 45.5
    triethyl phosphate 44.37
    4-methyl-2-pentanol 54.62
    propionitrile 84.27
    vinylene carbonate 101.76
    1,1,2-trichlorotrifluoroethane 158.84
    DMS 73.72
    cumene 30.95
    2-octanol 43.54
    2-hexanone 72.67
    octyl acetate 55.46
    limonene 60.93
    1,2-dimethoxyethane 131.19
    ethyl orthosilicate 44.98
    tributyl phosphate 42.09
    diacetone alcohol 115.19
    N,N-dimethylaniline 51.17
    acrylonitrile 99.29
    aniline 61.28
    1,3-propanediol 118.36
    bromobenzene 65.53
    dibromomethane 129.62
    1,1,2,2-tetrachloroethane 180.23
    2-methyl-cyclohexyl acetate 72.52
    tetrabutyl urea 55.22
    diisobutyl methanol 61.23
    2-phenylethanol 91.31
    styrene 37.76
    dioctyl adipate 63.61
    dimethyl sulfate 61.69
    ethyl butyrate 81.91
    methyl lactate 67.94
    butyl lactate 67.43
    diethyl carbonate 59.33
    propanediol butyl ether 109.45
    triethyl orthoformate 63.09
    p-tert-butyltoluene 42.32
    methyl 4-tert-butylbenzoate 80.43
    morpholine 166.65
    tert-butylamine 98.48
    n-dodecanol 36.67
    dimethoxymethane 101.7
    ethylene carbonate 75.92
    cyrene 81.42
    2-ethoxyethyl acetate 81.37
    2-ethylhexyl acetate 83.09
    1,2,4-trichlorobenzene 91.2
    4-methylpyridine 96.44
    dibutyl ether 60.08
    2,6-dimethyl-4-heptanol 61.23
    DEF 98.77
    dimethyl isosorbide 170.64
    tetrachloroethylene 125.46
    eugenol 88.39
    triacetin 85.38
    span 80 113.07
    1,4-butanediol 51.36
    1,1-dichloroethane 129.91
    2-methyl-1-pentanol 64.38
    methyl formate 71.41
    2-methyl-1-butanol 85.23
    n-decane 12.98
    butyronitrile 91.31
    3,7-dimethyl-1-octanol 73.19
    1-chlorooctane 43.22
    1-chlorotetradecane 20.76
    n-nonane 13.12
    undecane 10.23
    tert-butylcyclohexane 20.08
    cyclooctane 12.24
    cyclopentanol 111.05
    tetrahydropyran 135.7
    tert-amyl methyl ether 73.03
    2,5,8-trioxanonane 165.15
    1-hexene 64.52
    2-isopropoxyethanol 73.28
    2,2,2-trifluoroethanol 46.17
    methyl butyrate 75.33

    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