2-Methylpent-4-enal

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  • Identifiers

    CAS number
    5187-71-3

    Molecular formula
    C6H10O

    SMILES
    CC(CC=C)C=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 84.93%
    Green 76.83%
    Pungent 51.73%
    Fresh 44.98%
    Cheesy 38.35%
    Sharp 36.58%
    Aldehydic 35.44%
    Fatty 35.28%
    Ethereal 33.72%
    Vegetable 30.83%

     

    Flavor
    Green 52.46%
    Pungent 42.33%
    Vegetable 31.34%
    Mustard 27.84%
    Fatty 26.9%
    Ethereal 26.75%
    Fruity 26.66%
    Oily 24.54%
    Metallic 24.02%
    Spicy 22.46%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.66 (neutral)

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    110°C

    Flash point

    • 20.81 ˚C est.

  • Synonyms

    • 2-Methyl-4-pentenal
    • 2-methylpent-4-enal
    • 5187-71-3
    • DTXSID90966202
    • RefChem:476135
    • DTXCID20839076
    • 966-064-5
    • 2-METHYL-PENT-4-ENAL
    • 4-Pentenal, 2-methyl-
    • (2R)-2-methylpent-4-enal
    • 131102-19-7
    • 2-Methyl-4-pentenal #
    • SCHEMBL548844
    • SCHEMBL680097
    • SCHEMBL1414105
    • CHEBI:173330
    • AKOS006290859
    • DA-25871
    • NS00010716
    • EN300-2964850
    • 5187-71-3

  • Applications

    2-Methylpent-4-enal is a reactive unsaturated aldehyde commonly used as a fragrance ingredient and odorant precursor in perfumery, contributing green, fresh notes to targeted formulations. It is also employed as a flavor precursor or intermediate in flavor technology, enabling synthesis of aroma compounds for limited applications. In cosmetics and personal care, it can function as a fragrance ingredient within controlled formulations such as perfumes, lotions, and shower products. In household products and cleaners, it may be used as a scent additive to impart or enhance fragrance. Beyond finished products, it serves as a chemical intermediate in industrial manufacturing for the synthesis of fragrance and specialty chemicals. Its use is subject to local regulations and formulation limits. 2-Methylpent-4-enal, CAS 5187-71-3.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 325.03
    methanol 497.6
    isopropanol 194.91
    water 2.22
    ethyl acetate 178.46
    n-propanol 220.97
    acetone 169.2
    n-butanol 252.49
    acetonitrile 130.18
    DMF 199.24
    toluene 57.3
    isobutanol 159.32
    1,4-dioxane 252.6
    methyl acetate 157.96
    THF 323.88
    2-butanone 168.65
    n-pentanol 181.29
    sec-butanol 170.13
    n-hexane 52.36
    ethylene glycol 90.84
    NMP 228.47
    cyclohexane 38.86
    DMSO 203.96
    n-butyl acetate 321.17
    n-octanol 114.21
    chloroform 324.1
    n-propyl acetate 149.88
    acetic acid 298.77
    dichloromethane 266.58
    cyclohexanone 233.77
    propylene glycol 89.08
    isopropyl acetate 106.92
    DMAc 150.5
    2-ethoxyethanol 197.18
    isopentanol 203.14
    n-heptane 45.48
    ethyl formate 130.24
    1,2-dichloroethane 160.94
    n-hexanol 338.03
    2-methoxyethanol 282.74
    isobutyl acetate 110.03
    tetrachloromethane 84.28
    n-pentyl acetate 129.04
    transcutol 919.9
    n-heptanol 120.28
    ethylbenzene 50.77
    MIBK 108.71
    2-propoxyethanol 356.57
    tert-butanol 235.83
    MTBE 167.0
    2-butoxyethanol 180.67
    propionic acid 194.57
    o-xylene 54.6
    formic acid 128.31
    diethyl ether 162.39
    m-xylene 57.0
    p-xylene 67.55
    chlorobenzene 109.48
    dimethyl carbonate 40.72
    n-octane 16.16
    formamide 97.32
    cyclopentanone 227.42
    2-pentanone 149.95
    anisole 107.79
    cyclopentyl methyl ether 165.27
    gamma-butyrolactone 265.36
    1-methoxy-2-propanol 195.25
    pyridine 164.35
    3-pentanone 102.68
    furfural 261.45
    n-dodecane 12.47
    diethylene glycol 251.77
    diisopropyl ether 62.13
    tert-amyl alcohol 197.86
    acetylacetone 138.23
    n-hexadecane 13.51
    acetophenone 109.44
    methyl propionate 111.8
    isopentyl acetate 260.18
    trichloroethylene 321.43
    n-nonanol 96.11
    cyclohexanol 165.44
    benzyl alcohol 99.13
    2-ethylhexanol 208.14
    isooctanol 99.38
    dipropyl ether 166.5
    1,2-dichlorobenzene 111.24
    ethyl lactate 79.19
    propylene carbonate 184.06
    n-methylformamide 131.37
    2-pentanol 159.16
    n-pentane 37.66
    1-propoxy-2-propanol 289.66
    1-methoxy-2-propyl acetate 208.19
    2-(2-methoxypropoxy) propanol 197.11
    mesitylene 45.6
    ε-caprolactone 223.37
    p-cymene 66.21
    epichlorohydrin 251.36
    1,1,1-trichloroethane 176.77
    2-aminoethanol 150.48
    morpholine-4-carbaldehyde 255.02
    sulfolane 262.43
    2,2,4-trimethylpentane 26.79
    2-methyltetrahydrofuran 279.77
    n-hexyl acetate 177.19
    isooctane 23.3
    2-(2-butoxyethoxy)ethanol 264.07
    sec-butyl acetate 108.25
    tert-butyl acetate 133.35
    decalin 28.69
    glycerin 123.75
    diglyme 383.94
    acrylic acid 160.17
    isopropyl myristate 75.32
    n-butyric acid 275.32
    acetyl acetate 100.66
    di(2-ethylhexyl) phthalate 80.74
    ethyl propionate 106.85
    nitromethane 260.13
    1,2-diethoxyethane 269.06
    benzonitrile 130.59
    trioctyl phosphate 61.2
    1-bromopropane 138.56
    gamma-valerolactone 290.73
    n-decanol 72.66
    triethyl phosphate 73.92
    4-methyl-2-pentanol 103.25
    propionitrile 129.49
    vinylene carbonate 161.53
    1,1,2-trichlorotrifluoroethane 215.94
    DMS 113.43
    cumene 48.67
    2-octanol 78.84
    2-hexanone 161.25
    octyl acetate 93.39
    limonene 103.58
    1,2-dimethoxyethane 269.31
    ethyl orthosilicate 78.63
    tributyl phosphate 79.58
    diacetone alcohol 165.28
    N,N-dimethylaniline 79.35
    acrylonitrile 144.53
    aniline 90.69
    1,3-propanediol 195.52
    bromobenzene 101.48
    dibromomethane 192.46
    1,1,2,2-tetrachloroethane 230.98
    2-methyl-cyclohexyl acetate 146.26
    tetrabutyl urea 91.74
    diisobutyl methanol 106.02
    2-phenylethanol 150.27
    styrene 60.97
    dioctyl adipate 107.48
    dimethyl sulfate 64.16
    ethyl butyrate 178.21
    methyl lactate 75.46
    butyl lactate 119.59
    diethyl carbonate 110.25
    propanediol butyl ether 177.22
    triethyl orthoformate 122.59
    p-tert-butyltoluene 63.14
    methyl 4-tert-butylbenzoate 115.49
    morpholine 274.94
    tert-butylamine 163.7
    n-dodecanol 56.47
    dimethoxymethane 125.75
    ethylene carbonate 126.98
    cyrene 132.94
    2-ethoxyethyl acetate 168.5
    2-ethylhexyl acetate 197.9
    1,2,4-trichlorobenzene 126.99
    4-methylpyridine 165.16
    dibutyl ether 128.62
    2,6-dimethyl-4-heptanol 106.02
    DEF 160.99
    dimethyl isosorbide 283.22
    tetrachloroethylene 193.78
    eugenol 135.87
    triacetin 153.67
    span 80 177.24
    1,4-butanediol 97.32
    1,1-dichloroethane 180.46
    2-methyl-1-pentanol 171.13
    methyl formate 104.36
    2-methyl-1-butanol 182.99
    n-decane 20.21
    butyronitrile 166.52
    3,7-dimethyl-1-octanol 129.19
    1-chlorooctane 70.5
    1-chlorotetradecane 30.88
    n-nonane 20.85
    undecane 15.29
    tert-butylcyclohexane 34.45
    cyclooctane 16.32
    cyclopentanol 159.31
    tetrahydropyran 257.62
    tert-amyl methyl ether 133.1
    2,5,8-trioxanonane 269.69
    1-hexene 135.43
    2-isopropoxyethanol 154.0
    2,2,2-trifluoroethanol 86.22
    methyl butyrate 153.96

    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