4-Methyl-3-pentenal

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    5362-50-5

    Molecular formula
    C6H10O

    SMILES
    CC(=CCC=O)C

  • Odor profile

    Green 90.15%
    Fruity 68.87%
    Fresh 50.78%
    Pungent 50.76%
    Aldehydic 48.15%
    Herbal 42.92%
    Vegetable 42.32%
    Grassy 41.96%
    Leafy 39.45%
    Fatty 38.97%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.04 (weak base)

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    147°C

    Flash point est.
    30.61 ˚C

  • Synonyms

    • 4-METHYL-3-PENTENAL
    • 4-methylpent-3-enal
    • 5362-50-5
    • Pyroterebaldehyde
    • 3-Pentenal, 4-methyl-
    • DTXSID30201861
    • 3-methyl-2-butene carboxaldehyde
    • DTXCID60124352
    • CHEBI:229262
    • DA-16681

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 283.44
    methanol 341.88
    isopropanol 212.66
    water 4.98
    ethyl acetate 161.81
    n-propanol 210.57
    acetone 180.01
    n-butanol 189.61
    acetonitrile 148.1
    DMF 303.08
    toluene 65.27
    isobutanol 134.59
    1,4-dioxane 247.64
    methyl acetate 182.97
    THF 231.52
    2-butanone 159.86
    n-pentanol 100.57
    sec-butanol 166.49
    n-hexane 30.5
    ethylene glycol 118.17
    NMP 210.9
    cyclohexane 29.88
    DMSO 155.08
    n-butyl acetate 108.8
    n-octanol 84.07
    chloroform 376.49
    n-propyl acetate 70.42
    acetic acid 191.44
    dichloromethane 224.03
    cyclohexanone 159.08
    propylene glycol 168.31
    isopropyl acetate 76.66
    DMAc 231.97
    2-ethoxyethanol 153.28
    isopentanol 127.18
    n-heptane 31.67
    ethyl formate 92.4
    1,2-dichloroethane 123.27
    n-hexanol 185.79
    2-methoxyethanol 301.16
    isobutyl acetate 46.28
    tetrachloromethane 83.88
    n-pentyl acetate 61.11
    transcutol 444.62
    n-heptanol 79.39
    ethylbenzene 42.19
    MIBK 63.96
    2-propoxyethanol 257.81
    tert-butanol 208.22
    MTBE 117.33
    2-butoxyethanol 133.85
    propionic acid 193.03
    o-xylene 53.52
    formic acid 98.56
    diethyl ether 140.75
    m-xylene 55.94
    p-xylene 50.0
    chlorobenzene 80.59
    dimethyl carbonate 51.06
    n-octane 11.45
    formamide 92.48
    cyclopentanone 179.98
    2-pentanone 116.78
    anisole 92.12
    cyclopentyl methyl ether 108.27
    gamma-butyrolactone 190.64
    1-methoxy-2-propanol 238.48
    pyridine 155.93
    3-pentanone 95.03
    furfural 188.94
    n-dodecane 9.43
    diethylene glycol 203.08
    diisopropyl ether 34.77
    tert-amyl alcohol 154.91
    acetylacetone 110.68
    n-hexadecane 10.19
    acetophenone 77.96
    methyl propionate 125.83
    isopentyl acetate 90.02
    trichloroethylene 251.34
    n-nonanol 72.28
    cyclohexanol 126.89
    benzyl alcohol 81.06
    2-ethylhexanol 96.78
    isooctanol 58.28
    dipropyl ether 88.2
    1,2-dichlorobenzene 77.59
    ethyl lactate 60.26
    propylene carbonate 111.9
    n-methylformamide 151.16
    2-pentanol 121.97
    n-pentane 29.28
    1-propoxy-2-propanol 188.19
    1-methoxy-2-propyl acetate 118.08
    2-(2-methoxypropoxy) propanol 128.91
    mesitylene 34.86
    ε-caprolactone 144.43
    p-cymene 41.37
    epichlorohydrin 169.77
    1,1,1-trichloroethane 160.32
    2-aminoethanol 190.92
    morpholine-4-carbaldehyde 247.14
    sulfolane 170.57
    2,2,4-trimethylpentane 14.81
    2-methyltetrahydrofuran 185.61
    n-hexyl acetate 103.82
    isooctane 11.22
    2-(2-butoxyethoxy)ethanol 172.98
    sec-butyl acetate 53.72
    tert-butyl acetate 77.75
    decalin 18.2
    glycerin 170.32
    diglyme 252.97
    acrylic acid 165.91
    isopropyl myristate 45.37
    n-butyric acid 193.57
    acetyl acetate 87.54
    di(2-ethylhexyl) phthalate 47.35
    ethyl propionate 75.04
    nitromethane 222.86
    1,2-diethoxyethane 131.84
    benzonitrile 91.79
    trioctyl phosphate 35.77
    1-bromopropane 105.27
    gamma-valerolactone 233.02
    n-decanol 53.26
    triethyl phosphate 45.76
    4-methyl-2-pentanol 63.79
    propionitrile 139.03
    vinylene carbonate 113.65
    1,1,2-trichlorotrifluoroethane 212.65
    DMS 85.22
    cumene 34.39
    2-octanol 49.55
    2-hexanone 70.44
    octyl acetate 59.1
    limonene 62.26
    1,2-dimethoxyethane 179.7
    ethyl orthosilicate 47.18
    tributyl phosphate 42.46
    diacetone alcohol 127.54
    N,N-dimethylaniline 65.35
    acrylonitrile 158.2
    aniline 99.44
    1,3-propanediol 196.52
    bromobenzene 74.71
    dibromomethane 171.12
    1,1,2,2-tetrachloroethane 215.51
    2-methyl-cyclohexyl acetate 68.92
    tetrabutyl urea 54.45
    diisobutyl methanol 59.44
    2-phenylethanol 101.01
    styrene 49.66
    dioctyl adipate 63.24
    dimethyl sulfate 72.31
    ethyl butyrate 81.5
    methyl lactate 93.66
    butyl lactate 68.07
    diethyl carbonate 59.23
    propanediol butyl ether 135.31
    triethyl orthoformate 64.14
    p-tert-butyltoluene 42.72
    methyl 4-tert-butylbenzoate 82.83
    morpholine 280.13
    tert-butylamine 135.83
    n-dodecanol 41.16
    dimethoxymethane 142.32
    ethylene carbonate 89.38
    cyrene 88.56
    2-ethoxyethyl acetate 94.79
    2-ethylhexyl acetate 71.7
    1,2,4-trichlorobenzene 99.85
    4-methylpyridine 141.36
    dibutyl ether 70.69
    2,6-dimethyl-4-heptanol 59.44
    DEF 137.45
    dimethyl isosorbide 157.45
    tetrachloroethylene 152.25
    eugenol 93.42
    triacetin 99.14
    span 80 120.31
    1,4-butanediol 78.93
    1,1-dichloroethane 167.38
    2-methyl-1-pentanol 78.04
    methyl formate 98.37
    2-methyl-1-butanol 121.33
    n-decane 15.37
    butyronitrile 129.33
    3,7-dimethyl-1-octanol 80.99
    1-chlorooctane 48.6
    1-chlorotetradecane 21.56
    n-nonane 15.32
    undecane 11.61
    tert-butylcyclohexane 20.12
    cyclooctane 12.76
    cyclopentanol 138.73
    tetrahydropyran 185.32
    tert-amyl methyl ether 94.27
    2,5,8-trioxanonane 182.83
    1-hexene 70.26
    2-isopropoxyethanol 110.66
    2,2,2-trifluoroethanol 88.55
    methyl butyrate 85.6

    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

Botanical

Name CAS Botanical Proportion
Artemisia abaensis (China) Artemisia abaensis Y.R. Ling et S.Y. Zhao, fam. Asteraceae (Compositae) 0.69%