1-Penten-3-one, 2-methyl-

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  • Identifiers

    CAS number
    25044-01-3

    Molecular formula
    C6H10O

    SMILES
    CCC(=O)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 53.19%
    Pungent 52.6%
    Ethereal 42.48%
    Ketonic 39.95%
    Caramellic 34.38%
    Sharp 34.15%
    Herbal 32.48%
    Burnt 31.29%
    Cheesy 31.19%
    Green 29.88%

     

    Flavor
    Nutty 38.41%
    Pungent 34.85%
    Herbal 30.77%
    Spicy 29.53%
    Sweet 29.36%
    Caramel 27.7%
    Earthy 27.27%
    Green 27.0%
    Fruity 24.72%
    Phenolic 24.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.08 (weak base)

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    108°C

    Flash point

    • 14.61 ˚C est.

  • Synonyms

    • 2-METHYL-1-PENTEN-3-ONE
    • 25044-01-3
    • 1-Penten-3-one, 2-methyl-
    • Isopropenyl ethyl ketone
    • Ethyl isopropenyl ketone
    • UNII-UN317OP2QX
    • UN317OP2QX
    • DTXSID1073448
    • RefChem:76896
    • DTXCID3037202
    • GHHGVSCQWPVENX-UHFFFAOYSA-N
    • 2-methylpent-1-en-3-one
    • Methylathylacrolein
    • 2-methyl-pent-1-en-3-one
    • SCHEMBL134267
    • SCHEMBL159365
    • 2-Methyl-1-penten-3-one #
    • SCHEMBL1895993
    • SCHEMBL7528575
    • SCHEMBL17581098
    • AKOS017730239
    • DB-240267
    • G78492
    • EN300-2996358
    • Q27291154
    • 25044-01-3

  • Applications

    1-Penten-3-one, 2-methyl- (CAS 25044-01-3) is an α,β-unsaturated ketone that finds practical use primarily as a chemical intermediate in organic synthesis; in perfumery it may be used as an odorant or fragrance ingredient; in the flavor industry it can serve as a precursor to aroma compounds; in cosmetics and personal care it can be employed as a fragrance component; in industrial manufacturing it can act as a building block for the synthesis of other specialty chemicals; in cleaning and household products it may be used as a fragrance additive or intermediate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 986.82
    methanol 1523.79
    isopropanol 659.65
    water 17.15
    ethyl acetate 528.29
    n-propanol 696.15
    acetone 497.89
    n-butanol 728.11
    acetonitrile 659.49
    DMF 498.85
    toluene 261.54
    isobutanol 585.39
    1,4-dioxane 867.59
    methyl acetate 514.66
    THF 892.57
    2-butanone 552.97
    n-pentanol 651.12
    sec-butanol 646.34
    n-hexane 279.07
    ethylene glycol 181.14
    NMP 601.03
    cyclohexane 172.83
    DMSO 425.63
    n-butyl acetate 620.05
    n-octanol 394.74
    chloroform 1342.06
    n-propyl acetate 450.77
    acetic acid 764.28
    dichloromethane 1284.11
    cyclohexanone 690.51
    propylene glycol 172.7
    isopropyl acetate 336.95
    DMAc 503.42
    2-ethoxyethanol 698.76
    isopentanol 699.19
    n-heptane 143.49
    ethyl formate 424.46
    1,2-dichloroethane 659.81
    n-hexanol 648.02
    2-methoxyethanol 805.61
    isobutyl acetate 281.17
    tetrachloromethane 468.34
    n-pentyl acetate 429.26
    transcutol 1882.56
    n-heptanol 350.87
    ethylbenzene 251.17
    MIBK 352.95
    2-propoxyethanol 721.48
    tert-butanol 842.95
    MTBE 726.4
    2-butoxyethanol 491.86
    propionic acid 490.69
    o-xylene 240.06
    formic acid 392.31
    diethyl ether 702.37
    m-xylene 219.23
    p-xylene 338.0
    chlorobenzene 418.4
    dimethyl carbonate 120.15
    n-octane 72.89
    formamide 419.38
    cyclopentanone 658.0
    2-pentanone 474.89
    anisole 441.95
    cyclopentyl methyl ether 524.76
    gamma-butyrolactone 691.52
    1-methoxy-2-propanol 494.83
    pyridine 568.79
    3-pentanone 373.76
    furfural 709.54
    n-dodecane 45.83
    diethylene glycol 433.81
    diisopropyl ether 256.75
    tert-amyl alcohol 815.39
    acetylacetone 372.12
    n-hexadecane 49.86
    acetophenone 380.98
    methyl propionate 337.58
    isopentyl acetate 557.36
    trichloroethylene 1112.86
    n-nonanol 333.28
    cyclohexanol 523.52
    benzyl alcohol 396.28
    2-ethylhexanol 460.27
    isooctanol 302.05
    dipropyl ether 410.36
    1,2-dichlorobenzene 418.92
    ethyl lactate 178.87
    propylene carbonate 403.87
    n-methylformamide 416.84
    2-pentanol 529.79
    n-pentane 193.41
    1-propoxy-2-propanol 511.68
    1-methoxy-2-propyl acetate 381.1
    2-(2-methoxypropoxy) propanol 432.37
    mesitylene 168.27
    ε-caprolactone 664.15
    p-cymene 202.54
    epichlorohydrin 827.17
    1,1,1-trichloroethane 764.02
    2-aminoethanol 364.36
    morpholine-4-carbaldehyde 716.04
    sulfolane 593.73
    2,2,4-trimethylpentane 132.39
    2-methyltetrahydrofuran 892.92
    n-hexyl acetate 586.15
    isooctane 90.1
    2-(2-butoxyethoxy)ethanol 609.43
    sec-butyl acetate 326.31
    tert-butyl acetate 397.86
    decalin 122.4
    glycerin 217.2
    diglyme 973.15
    acrylic acid 392.57
    isopropyl myristate 203.71
    n-butyric acid 715.05
    acetyl acetate 295.25
    di(2-ethylhexyl) phthalate 194.64
    ethyl propionate 360.94
    nitromethane 731.95
    1,2-diethoxyethane 809.64
    benzonitrile 529.26
    trioctyl phosphate 142.57
    1-bromopropane 565.59
    gamma-valerolactone 811.21
    n-decanol 230.96
    triethyl phosphate 194.31
    4-methyl-2-pentanol 334.82
    propionitrile 532.82
    vinylene carbonate 391.7
    1,1,2-trichlorotrifluoroethane 512.14
    DMS 314.33
    cumene 219.75
    2-octanol 277.4
    2-hexanone 499.31
    octyl acetate 257.82
    limonene 286.18
    1,2-dimethoxyethane 932.47
    ethyl orthosilicate 212.54
    tributyl phosphate 199.01
    diacetone alcohol 395.81
    N,N-dimethylaniline 313.19
    acrylonitrile 541.24
    aniline 347.4
    1,3-propanediol 525.65
    bromobenzene 401.95
    dibromomethane 911.63
    1,1,2,2-tetrachloroethane 784.2
    2-methyl-cyclohexyl acetate 341.15
    tetrabutyl urea 217.02
    diisobutyl methanol 244.07
    2-phenylethanol 416.74
    styrene 299.42
    dioctyl adipate 252.61
    dimethyl sulfate 158.44
    ethyl butyrate 420.76
    methyl lactate 152.47
    butyl lactate 279.16
    diethyl carbonate 268.37
    propanediol butyl ether 380.43
    triethyl orthoformate 293.96
    p-tert-butyltoluene 184.83
    methyl 4-tert-butylbenzoate 313.3
    morpholine 851.66
    tert-butylamine 651.29
    n-dodecanol 165.63
    dimethoxymethane 404.52
    ethylene carbonate 333.35
    cyrene 315.75
    2-ethoxyethyl acetate 475.1
    2-ethylhexyl acetate 452.49
    1,2,4-trichlorobenzene 454.57
    4-methylpyridine 658.18
    dibutyl ether 494.23
    2,6-dimethyl-4-heptanol 244.07
    DEF 535.45
    dimethyl isosorbide 575.34
    tetrachloroethylene 724.11
    eugenol 345.17
    triacetin 363.88
    span 80 351.12
    1,4-butanediol 300.72
    1,1-dichloroethane 747.45
    2-methyl-1-pentanol 684.67
    methyl formate 302.64
    2-methyl-1-butanol 703.45
    n-decane 84.41
    butyronitrile 663.31
    3,7-dimethyl-1-octanol 389.28
    1-chlorooctane 261.21
    1-chlorotetradecane 98.23
    n-nonane 90.98
    undecane 58.88
    tert-butylcyclohexane 147.83
    cyclooctane 74.63
    cyclopentanol 500.97
    tetrahydropyran 761.34
    tert-amyl methyl ether 594.02
    2,5,8-trioxanonane 611.76
    1-hexene 522.47
    2-isopropoxyethanol 517.18
    2,2,2-trifluoroethanol 262.13
    methyl butyrate 494.64

    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