4-Penten-2-one, 4-methyl-

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  • Identifiers

    CAS number
    3744-02-3

    Molecular formula
    C6H10O

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

  • Odor profile

    Sweet 58.53%
    Ketonic 53.18%
    Pungent 51.73%
    Mint 51.44%
    Green 51.2%
    Fruity 46.52%
    Herbal 44.64%
    Vegetable 44.62%
    Musty 41.08%
    Ethereal 40.79%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    112°C

    Flash point est.
    17.82 ˚C

  • Synonyms

    • 4-Penten-2-one, 4-methyl-
    • 4-methylpent-4-en-2-one
    • 3744-02-3
    • 4-Methyl-4-penten-2-one
    • ISOMESITYL OXIDE
    • Isopropenyl acetone
    • 2-Methylene-4-pentanal
    • P549RW6459
    • DTXSID4073966
    • UNII-P549RW6459
    • CH3C(O)CH2C(CH3)=CH2
    • AI3-24338
    • Isopropenylacetone
    • 3-Acetylisobutene
    • 4-methyl-pent-4-en-2-one
    • DTXCID7039331
    • CHEBI:173332
    • MFCD00071647
    • AKOS017516565
    • DB-325085
    • NS00125885
    • E77682
    • EN300-1856366
    • Q27286189

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1489.0
    methanol 1996.63
    isopropanol 1114.42
    water 95.63
    ethyl acetate 712.62
    n-propanol 1160.5
    acetone 923.84
    n-butanol 1034.37
    acetonitrile 803.34
    DMF 929.57
    toluene 284.05
    isobutanol 826.99
    1,4-dioxane 1067.45
    methyl acetate 745.17
    THF 1499.67
    2-butanone 756.65
    n-pentanol 655.43
    sec-butanol 997.42
    n-hexane 494.46
    ethylene glycol 543.95
    NMP 1059.69
    cyclohexane 410.9
    DMSO 468.09
    n-butyl acetate 486.64
    n-octanol 581.39
    chloroform 918.05
    n-propyl acetate 357.76
    acetic acid 1676.13
    dichloromethane 623.87
    cyclohexanone 926.59
    propylene glycol 684.79
    isopropyl acetate 417.85
    DMAc 876.21
    2-ethoxyethanol 681.0
    isopentanol 706.93
    n-heptane 358.36
    ethyl formate 496.84
    1,2-dichloroethane 407.79
    n-hexanol 1316.46
    2-methoxyethanol 1204.34
    isobutyl acetate 249.88
    tetrachloromethane 278.2
    n-pentyl acetate 307.55
    transcutol 1697.34
    n-heptanol 437.23
    ethylbenzene 200.24
    MIBK 403.95
    2-propoxyethanol 1153.33
    tert-butanol 1243.66
    MTBE 826.36
    2-butoxyethanol 495.57
    propionic acid 1025.81
    o-xylene 246.75
    formic acid 740.05
    diethyl ether 919.0
    m-xylene 251.37
    p-xylene 239.11
    chlorobenzene 286.23
    dimethyl carbonate 238.29
    n-octane 106.76
    formamide 391.95
    cyclopentanone 824.92
    2-pentanone 651.0
    anisole 325.54
    cyclopentyl methyl ether 853.68
    gamma-butyrolactone 915.7
    1-methoxy-2-propanol 901.23
    pyridine 509.31
    3-pentanone 516.97
    furfural 653.56
    n-dodecane 80.58
    diethylene glycol 811.85
    diisopropyl ether 336.16
    tert-amyl alcohol 1020.83
    acetylacetone 528.8
    n-hexadecane 84.25
    acetophenone 269.94
    methyl propionate 562.11
    isopentyl acetate 412.23
    trichloroethylene 649.14
    n-nonanol 468.73
    cyclohexanol 960.51
    benzyl alcohol 307.74
    2-ethylhexanol 613.37
    isooctanol 293.93
    dipropyl ether 561.42
    1,2-dichlorobenzene 245.51
    ethyl lactate 230.77
    propylene carbonate 520.47
    n-methylformamide 640.11
    2-pentanol 771.37
    n-pentane 407.72
    1-propoxy-2-propanol 792.46
    1-methoxy-2-propyl acetate 461.94
    2-(2-methoxypropoxy) propanol 502.13
    mesitylene 171.1
    ε-caprolactone 834.22
    p-cymene 169.3
    epichlorohydrin 731.06
    1,1,1-trichloroethane 564.99
    2-aminoethanol 801.49
    morpholine-4-carbaldehyde 962.67
    sulfolane 713.67
    2,2,4-trimethylpentane 165.61
    2-methyltetrahydrofuran 1212.53
    n-hexyl acetate 662.66
    isooctane 127.16
    2-(2-butoxyethoxy)ethanol 711.72
    sec-butyl acetate 259.6
    tert-butyl acetate 461.05
    decalin 165.09
    glycerin 720.02
    diglyme 868.9
    acrylic acid 764.27
    isopropyl myristate 249.35
    n-butyric acid 985.5
    acetyl acetate 426.92
    di(2-ethylhexyl) phthalate 221.08
    ethyl propionate 357.5
    nitromethane 1184.38
    1,2-diethoxyethane 502.58
    benzonitrile 328.93
    trioctyl phosphate 178.09
    1-bromopropane 472.54
    gamma-valerolactone 1047.41
    n-decanol 336.4
    triethyl phosphate 155.55
    4-methyl-2-pentanol 388.09
    propionitrile 593.23
    vinylene carbonate 451.53
    1,1,2-trichlorotrifluoroethane 614.03
    DMS 366.34
    cumene 157.53
    2-octanol 310.16
    2-hexanone 445.89
    octyl acetate 339.67
    limonene 325.04
    1,2-dimethoxyethane 868.68
    ethyl orthosilicate 169.02
    tributyl phosphate 212.82
    diacetone alcohol 554.39
    N,N-dimethylaniline 244.22
    acrylonitrile 529.53
    aniline 376.88
    1,3-propanediol 854.92
    bromobenzene 233.65
    dibromomethane 514.68
    1,1,2,2-tetrachloroethane 546.07
    2-methyl-cyclohexyl acetate 303.86
    tetrabutyl urea 277.33
    diisobutyl methanol 262.09
    2-phenylethanol 395.36
    styrene 209.62
    dioctyl adipate 291.95
    dimethyl sulfate 269.55
    ethyl butyrate 307.3
    methyl lactate 335.68
    butyl lactate 265.43
    diethyl carbonate 200.61
    propanediol butyl ether 584.2
    triethyl orthoformate 234.45
    p-tert-butyltoluene 174.34
    methyl 4-tert-butylbenzoate 336.72
    morpholine 1258.39
    tert-butylamine 885.09
    n-dodecanol 256.45
    dimethoxymethane 687.55
    ethylene carbonate 417.08
    cyrene 359.66
    2-ethoxyethyl acetate 359.75
    2-ethylhexyl acetate 338.72
    1,2,4-trichlorobenzene 302.03
    4-methylpyridine 570.34
    dibutyl ether 470.24
    2,6-dimethyl-4-heptanol 262.09
    DEF 639.33
    dimethyl isosorbide 630.84
    tetrachloroethylene 420.43
    eugenol 324.26
    triacetin 434.07
    span 80 517.55
    1,4-butanediol 394.08
    1,1-dichloroethane 583.82
    2-methyl-1-pentanol 528.47
    methyl formate 507.84
    2-methyl-1-butanol 772.23
    n-decane 139.42
    butyronitrile 607.25
    3,7-dimethyl-1-octanol 474.44
    1-chlorooctane 315.29
    1-chlorotetradecane 138.2
    n-nonane 155.47
    undecane 99.37
    tert-butylcyclohexane 176.99
    cyclooctane 165.63
    cyclopentanol 893.17
    tetrahydropyran 1216.77
    tert-amyl methyl ether 695.25
    2,5,8-trioxanonane 640.34
    1-hexene 665.48
    2-isopropoxyethanol 483.3
    2,2,2-trifluoroethanol 499.32
    methyl butyrate 429.38

    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
Michelia yunnanensis flower headspace (China) Michelia yunnanensis Franch. ex Finet et Gagnep., fam. Magnoliaceae 0.11%