1-Penten-3-one, 4-methyl-

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  • Identifiers

    CAS number
    1606-47-9

    Molecular formula
    C6H10O

    SMILES
    CC(C)C(=O)C=C

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Pungent 56.54%
    Fruity 46.9%
    Ethereal 45.84%
    Ketonic 37.01%
    Herbal 34.64%
    Sharp 33.21%
    Burnt 31.62%
    Cheesy 31.38%
    Metallic 31.14%
    Green 29.5%

     

    Flavor
    Pungent 40.85%
    Mustard 28.38%
    Nutty 27.91%
    Onion 24.31%
    Hazelnut 23.69%
    Fruity 22.51%
    Garlic 22.47%
    Filbert 22.34%
    Matches 22.21%
    Butter 22.15%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.67 (neutral)

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    118°C

    Flash point

    • 11.35 ˚C est.

  • Synonyms

    • 4-methylpent-1-en-3-one
    • 1606-47-9
    • 1-PENTEN-3-ONE, 4-METHYL-
    • 4-Methyl-1-penten-3-one
    • DTXSID10166944
    • RefChem:435405
    • DTXCID5089435
    • 977-026-2
    • Isopropyl vinyl ketone
    • MFCD00129062
    • 4-METHYL-1-PENTENE-3-ONE
    • isopropylvinyl ketone
    • isopropylacrolein
    • i-propyl vinyl ketone
    • iso-C3H7COCH=CH2
    • SCHEMBL220078
    • 4-Methyl-1-penten-3-one #
    • SCHEMBL3214909
    • SCHEMBL8620304
    • SCHEMBL17581053
    • SCHEMBL27553125
    • AKOS006239046
    • SY503877
    • EN300-60336
    • C77506
    • Q63399735
    • 1606-47-9

  • Applications

    1-Penten-3-one, 4-methyl- is primarily used as an intermediate in fragrance and flavor chemistry, serving as a precursor to aroma compounds for perfumery and taste applications. It is also employed in cosmetics and personal care formulations as a fragrance component or intermediate for further synthesis. In industrial manufacturing, it acts as a building block for the synthesis of more complex chemicals, including pharmaceutical and agrochemical intermediates. Additionally, it may be evaluated for use in polymer and coatings applications as a specialty intermediate, enabling incorporation of unsaturation and carbonyl functionality. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 429.73
    methanol 670.2
    isopropanol 281.4
    water 5.07
    ethyl acetate 341.72
    n-propanol 319.8
    acetone 338.43
    n-butanol 346.44
    acetonitrile 356.87
    DMF 305.11
    toluene 155.07
    isobutanol 266.47
    1,4-dioxane 469.85
    methyl acetate 328.88
    THF 606.21
    2-butanone 363.24
    n-pentanol 301.16
    sec-butanol 312.83
    n-hexane 180.12
    ethylene glycol 80.25
    NMP 474.94
    cyclohexane 113.28
    DMSO 292.91
    n-butyl acetate 512.83
    n-octanol 232.08
    chloroform 925.34
    n-propyl acetate 308.73
    acetic acid 414.41
    dichloromethane 852.37
    cyclohexanone 500.25
    propylene glycol 79.45
    isopropyl acetate 220.07
    DMAc 329.41
    2-ethoxyethanol 325.61
    isopentanol 349.37
    n-heptane 103.19
    ethyl formate 271.11
    1,2-dichloroethane 435.59
    n-hexanol 385.25
    2-methoxyethanol 385.77
    isobutyl acetate 207.74
    tetrachloromethane 306.63
    n-pentyl acetate 315.44
    transcutol 1143.88
    n-heptanol 207.71
    ethylbenzene 157.92
    MIBK 233.32
    2-propoxyethanol 430.62
    tert-butanol 369.97
    MTBE 390.78
    2-butoxyethanol 293.28
    propionic acid 298.7
    o-xylene 153.24
    formic acid 180.78
    diethyl ether 374.79
    m-xylene 141.35
    p-xylene 229.37
    chlorobenzene 301.91
    dimethyl carbonate 86.85
    n-octane 51.0
    formamide 187.09
    cyclopentanone 520.69
    2-pentanone 315.95
    anisole 269.39
    cyclopentyl methyl ether 340.72
    gamma-butyrolactone 593.42
    1-methoxy-2-propanol 255.95
    pyridine 359.68
    3-pentanone 256.29
    furfural 564.29
    n-dodecane 33.79
    diethylene glycol 253.1
    diisopropyl ether 155.6
    tert-amyl alcohol 409.08
    acetylacetone 274.61
    n-hexadecane 37.07
    acetophenone 263.06
    methyl propionate 225.83
    isopentyl acetate 451.52
    trichloroethylene 825.08
    n-nonanol 196.4
    cyclohexanol 289.59
    benzyl alcohol 216.63
    2-ethylhexanol 300.9
    isooctanol 179.55
    dipropyl ether 284.63
    1,2-dichlorobenzene 322.49
    ethyl lactate 126.22
    propylene carbonate 373.92
    n-methylformamide 231.52
    2-pentanol 264.85
    n-pentane 111.97
    1-propoxy-2-propanol 336.47
    1-methoxy-2-propyl acetate 300.76
    2-(2-methoxypropoxy) propanol 302.24
    mesitylene 112.23
    ε-caprolactone 479.83
    p-cymene 152.08
    epichlorohydrin 572.21
    1,1,1-trichloroethane 535.72
    2-aminoethanol 158.63
    morpholine-4-carbaldehyde 475.51
    sulfolane 559.11
    2,2,4-trimethylpentane 80.74
    2-methyltetrahydrofuran 582.73
    n-hexyl acetate 423.59
    isooctane 56.83
    2-(2-butoxyethoxy)ethanol 389.82
    sec-butyl acetate 231.91
    tert-butyl acetate 273.77
    decalin 86.76
    glycerin 107.0
    diglyme 626.21
    acrylic acid 252.37
    isopropyl myristate 159.29
    n-butyric acid 418.77
    acetyl acetate 217.21
    di(2-ethylhexyl) phthalate 151.34
    ethyl propionate 250.52
    nitromethane 458.18
    1,2-diethoxyethane 510.5
    benzonitrile 341.59
    trioctyl phosphate 114.34
    1-bromopropane 363.39
    gamma-valerolactone 568.86
    n-decanol 140.87
    triethyl phosphate 155.23
    4-methyl-2-pentanol 180.59
    propionitrile 302.54
    vinylene carbonate 330.99
    1,1,2-trichlorotrifluoroethane 360.99
    DMS 253.38
    cumene 140.83
    2-octanol 164.89
    2-hexanone 341.8
    octyl acetate 199.59
    limonene 215.17
    1,2-dimethoxyethane 527.19
    ethyl orthosilicate 167.63
    tributyl phosphate 163.01
    diacetone alcohol 258.87
    N,N-dimethylaniline 190.49
    acrylonitrile 330.2
    aniline 193.11
    1,3-propanediol 234.86
    bromobenzene 311.46
    dibromomethane 616.39
    1,1,2,2-tetrachloroethane 592.65
    2-methyl-cyclohexyl acetate 277.98
    tetrabutyl urea 173.64
    diisobutyl methanol 171.35
    2-phenylethanol 260.85
    styrene 185.4
    dioctyl adipate 209.51
    dimethyl sulfate 131.36
    ethyl butyrate 338.1
    methyl lactate 104.33
    butyl lactate 215.43
    diethyl carbonate 225.91
    propanediol butyl ether 238.99
    triethyl orthoformate 233.82
    p-tert-butyltoluene 140.78
    methyl 4-tert-butylbenzoate 234.52
    morpholine 453.35
    tert-butylamine 300.32
    n-dodecanol 106.03
    dimethoxymethane 226.19
    ethylene carbonate 273.14
    cyrene 226.93
    2-ethoxyethyl acetate 353.17
    2-ethylhexyl acetate 382.87
    1,2,4-trichlorobenzene 352.47
    4-methylpyridine 422.15
    dibutyl ether 321.2
    2,6-dimethyl-4-heptanol 171.35
    DEF 330.75
    dimethyl isosorbide 459.54
    tetrachloroethylene 501.55
    eugenol 246.27
    triacetin 291.48
    span 80 255.62
    1,4-butanediol 133.55
    1,1-dichloroethane 488.37
    2-methyl-1-pentanol 340.62
    methyl formate 193.71
    2-methyl-1-butanol 340.25
    n-decane 58.13
    butyronitrile 383.18
    3,7-dimethyl-1-octanol 240.25
    1-chlorooctane 184.52
    1-chlorotetradecane 72.72
    n-nonane 62.03
    undecane 42.23
    tert-butylcyclohexane 100.94
    cyclooctane 51.75
    cyclopentanol 291.32
    tetrahydropyran 440.27
    tert-amyl methyl ether 327.63
    2,5,8-trioxanonane 408.64
    1-hexene 325.2
    2-isopropoxyethanol 260.52
    2,2,2-trifluoroethanol 151.58
    methyl butyrate 339.98

    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