2-Pentenal, 3-methyl-

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  • Identifiers

    CAS number
    3592-19-6

    Molecular formula
    C6H10O

    SMILES
    CCC(=CC=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 84.92%
    Pungent 63.5%
    Green 61.51%
    Spicy 59.66%
    Herbal 54.15%
    Sweet 48.38%
    Sharp 46.06%
    Ethereal 43.82%
    Nutty 43.4%
    Ketonic 42.0%

     

    Flavor
    Fruity 70.11%
    Sweet 60.19%
    Green 57.46%
    Nutty 54.31%
    Pungent 47.82%
    Almond 43.12%
    Ethereal 42.96%
    Spicy 38.72%
    Fatty 35.75%
    Fruit 34.72%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.14 (weak base)

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    149°C

    Flash point

    • 30.79 ˚C est.

  • Synonyms

    • 3-Methyl-2-pentenal
    • 2-Pentenal, 3-methyl-
    • DTXSID8063094
    • RefChem:88983
    • DTXCID8039112
    • 3-methylpent-2-enal
    • 3592-19-6
    • 3-methyl pentenal
    • SCHEMBL258775
    • SCHEMBL2163715
    • XGADWNHARGAKQG-UHFFFAOYSA-N
    • 3592-19-6

  • Applications

    2-Pentenal, 3-methyl- (CAS 3592-19-6) is primarily used as an odorant and fragrance intermediate in perfumery, contributing to green and fresh notes; it may be used as a flavor precursor in aroma formulations and some food flavor applications; in cosmetics/personal care, it can serve as a fragrance component in products; in industrial manufacturing, it acts as an intermediate in the synthesis of aroma chemicals and as a reactive aldehyde in organic synthesis; in coatings/inks and household products, it may be included as a fragrance additive. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 275.35
    methanol 303.99
    isopropanol 210.1
    water 2.63
    ethyl acetate 227.3
    n-propanol 240.07
    acetone 239.41
    n-butanol 203.94
    acetonitrile 248.47
    DMF 406.99
    toluene 90.85
    isobutanol 157.38
    1,4-dioxane 461.62
    methyl acetate 271.88
    THF 356.79
    2-butanone 233.89
    n-pentanol 122.24
    sec-butanol 184.52
    n-hexane 29.05
    ethylene glycol 109.64
    NMP 314.41
    cyclohexane 47.07
    DMSO 296.71
    n-butyl acetate 185.46
    n-octanol 92.82
    chloroform 579.25
    n-propyl acetate 108.27
    acetic acid 257.73
    dichloromethane 360.02
    cyclohexanone 299.49
    propylene glycol 140.99
    isopropyl acetate 99.71
    DMAc 248.47
    2-ethoxyethanol 168.22
    isopentanol 145.55
    n-heptane 29.94
    ethyl formate 134.27
    1,2-dichloroethane 228.92
    n-hexanol 237.37
    2-methoxyethanol 338.9
    isobutyl acetate 64.89
    tetrachloromethane 118.23
    n-pentyl acetate 87.49
    transcutol 724.16
    n-heptanol 89.67
    ethylbenzene 56.08
    MIBK 83.71
    2-propoxyethanol 290.83
    tert-butanol 242.38
    MTBE 143.08
    2-butoxyethanol 153.36
    propionic acid 267.33
    o-xylene 72.83
    formic acid 116.81
    diethyl ether 169.45
    m-xylene 71.16
    p-xylene 72.64
    chlorobenzene 153.11
    dimethyl carbonate 67.84
    n-octane 11.32
    formamide 134.58
    cyclopentanone 294.88
    2-pentanone 154.16
    anisole 122.2
    cyclopentyl methyl ether 160.06
    gamma-butyrolactone 349.09
    1-methoxy-2-propanol 250.29
    pyridine 304.38
    3-pentanone 127.48
    furfural 321.68
    n-dodecane 9.87
    diethylene glycol 244.17
    diisopropyl ether 45.58
    tert-amyl alcohol 184.66
    acetylacetone 164.41
    n-hexadecane 10.95
    acetophenone 104.35
    methyl propionate 169.6
    isopentyl acetate 139.9
    trichloroethylene 475.01
    n-nonanol 81.65
    cyclohexanol 184.51
    benzyl alcohol 102.64
    2-ethylhexanol 125.09
    isooctanol 71.82
    dipropyl ether 110.4
    1,2-dichlorobenzene 134.97
    ethyl lactate 71.35
    propylene carbonate 170.11
    n-methylformamide 231.45
    2-pentanol 131.36
    n-pentane 26.27
    1-propoxy-2-propanol 218.63
    1-methoxy-2-propyl acetate 166.87
    2-(2-methoxypropoxy) propanol 168.0
    mesitylene 47.93
    ε-caprolactone 239.06
    p-cymene 49.29
    epichlorohydrin 329.36
    1,1,1-trichloroethane 289.38
    2-aminoethanol 184.65
    morpholine-4-carbaldehyde 350.3
    sulfolane 333.22
    2,2,4-trimethylpentane 14.52
    2-methyltetrahydrofuran 275.42
    n-hexyl acetate 140.63
    isooctane 12.02
    2-(2-butoxyethoxy)ethanol 234.96
    sec-butyl acetate 68.83
    tert-butyl acetate 110.37
    decalin 22.28
    glycerin 162.34
    diglyme 355.61
    acrylic acid 232.47
    isopropyl myristate 58.57
    n-butyric acid 253.95
    acetyl acetate 129.04
    di(2-ethylhexyl) phthalate 61.39
    ethyl propionate 107.04
    nitromethane 399.24
    1,2-diethoxyethane 199.73
    benzonitrile 148.95
    trioctyl phosphate 45.5
    1-bromopropane 147.71
    gamma-valerolactone 388.86
    n-decanol 62.5
    triethyl phosphate 58.95
    4-methyl-2-pentanol 70.9
    propionitrile 222.46
    vinylene carbonate 179.46
    1,1,2-trichlorotrifluoroethane 274.15
    DMS 131.61
    cumene 42.52
    2-octanol 59.73
    2-hexanone 101.79
    octyl acetate 77.95
    limonene 76.43
    1,2-dimethoxyethane 244.15
    ethyl orthosilicate 57.6
    tributyl phosphate 56.1
    diacetone alcohol 165.64
    N,N-dimethylaniline 78.56
    acrylonitrile 256.67
    aniline 146.47
    1,3-propanediol 216.93
    bromobenzene 148.86
    dibromomethane 256.23
    1,1,2,2-tetrachloroethane 387.62
    2-methyl-cyclohexyl acetate 93.97
    tetrabutyl urea 68.99
    diisobutyl methanol 72.05
    2-phenylethanol 140.18
    styrene 67.62
    dioctyl adipate 83.37
    dimethyl sulfate 109.49
    ethyl butyrate 120.95
    methyl lactate 107.17
    butyl lactate 90.49
    diethyl carbonate 87.53
    propanediol butyl ether 148.19
    triethyl orthoformate 85.94
    p-tert-butyltoluene 50.66
    methyl 4-tert-butylbenzoate 110.66
    morpholine 483.31
    tert-butylamine 150.5
    n-dodecanol 49.18
    dimethoxymethane 178.19
    ethylene carbonate 137.1
    cyrene 105.23
    2-ethoxyethyl acetate 138.69
    2-ethylhexyl acetate 108.39
    1,2,4-trichlorobenzene 167.63
    4-methylpyridine 230.53
    dibutyl ether 91.75
    2,6-dimethyl-4-heptanol 72.05
    DEF 183.69
    dimethyl isosorbide 239.0
    tetrachloroethylene 276.13
    eugenol 124.26
    triacetin 134.3
    span 80 165.13
    1,4-butanediol 82.0
    1,1-dichloroethane 287.05
    2-methyl-1-pentanol 96.89
    methyl formate 153.93
    2-methyl-1-butanol 137.22
    n-decane 15.34
    butyronitrile 181.39
    3,7-dimethyl-1-octanol 97.64
    1-chlorooctane 59.98
    1-chlorotetradecane 25.55
    n-nonane 14.98
    undecane 11.96
    tert-butylcyclohexane 22.08
    cyclooctane 16.19
    cyclopentanol 192.45
    tetrahydropyran 337.03
    tert-amyl methyl ether 103.97
    2,5,8-trioxanonane 256.09
    1-hexene 82.28
    2-isopropoxyethanol 121.34
    2,2,2-trifluoroethanol 108.13
    methyl butyrate 128.67

    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