(Z)-pent-3-en-2-one

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  • Identifiers

    CAS number
    3102-32-7

    Molecular formula
    C5H8O

    SMILES
    C/C=C\C(=O)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Pungent 69.89%
    Sweet 64.43%
    Fruity 63.07%
    Spicy 61.46%
    Ethereal 57.59%
    Sharp 53.23%
    Nutty 52.2%
    Musty 42.61%
    Phenolic 40.81%
    Herbal 39.3%

    Scent© AI

  • Properties

    XLogP3-AA
    0.5

    Molecular weight
    84.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    107°C

    Flash point est.
    10.55 ˚C

    Solubility expt.

    • slightly soluble in water; soluble in oil
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • (Z)-pent-3-en-2-one
    • Z-3-Penten-2-one
    • cis-3-Penten-2-one
    • cis-Methyl propenyl ketone
    • 3-Penten-2-one, cis-
    • 3-Penten-2-one, (Z)-
    • 3-Penten-2-one, (3Z)-
    • 3102-32-7
    • (Z)-3-penten-2-one
    • UNII-W8XX21WHYC
    • W8XX21WHYC
    • cis-pent-3-en-2-one
    • 625-33-2
    • (3Z)-3-penten-2-one
    • WLN: 2U1V1
    • (Z)-CH3C(O)CH=CHCH3
    • LABTWGUMFABVFG-ARJAWSKDSA-N
    • NSC61468
    • A833830
    • Q27292477

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1467.32
    methanol 1672.33
    isopropanol 1166.47
    water 37.93
    ethyl acetate 929.82
    n-propanol 1073.75
    acetone 1104.04
    n-butanol 1015.53
    acetonitrile 1075.55
    DMF 1155.63
    toluene 368.48
    isobutanol 778.86
    1,4-dioxane 1367.37
    methyl acetate 779.16
    THF 1739.19
    2-butanone 795.72
    n-pentanol 666.29
    sec-butanol 1021.36
    n-hexane 603.75
    ethylene glycol 424.71
    NMP 1339.64
    cyclohexane 490.62
    DMSO 782.36
    n-butyl acetate 513.95
    n-octanol 534.13
    chloroform 1561.58
    n-propyl acetate 397.71
    acetic acid 1687.73
    dichloromethane 1195.49
    cyclohexanone 1087.37
    propylene glycol 469.35
    isopropyl acetate 503.97
    DMAc 874.89
    2-ethoxyethanol 681.25
    isopentanol 709.94
    n-heptane 286.79
    ethyl formate 496.7
    1,2-dichloroethane 642.39
    n-hexanol 996.66
    2-methoxyethanol 1201.4
    isobutyl acetate 233.52
    tetrachloromethane 395.73
    n-pentyl acetate 367.51
    transcutol 2022.33
    n-heptanol 347.57
    ethylbenzene 212.79
    MIBK 395.93
    2-propoxyethanol 1024.53
    tert-butanol 1267.35
    MTBE 844.54
    2-butoxyethanol 453.46
    propionic acid 966.08
    o-xylene 251.98
    formic acid 588.77
    diethyl ether 1119.72
    m-xylene 273.22
    p-xylene 261.63
    chlorobenzene 404.2
    dimethyl carbonate 231.53
    n-octane 94.98
    formamide 498.86
    cyclopentanone 1136.02
    2-pentanone 782.67
    anisole 373.45
    cyclopentyl methyl ether 1005.29
    gamma-butyrolactone 1188.51
    1-methoxy-2-propanol 927.07
    pyridine 699.73
    3-pentanone 568.41
    furfural 777.01
    n-dodecane 70.3
    diethylene glycol 710.65
    diisopropyl ether 342.76
    tert-amyl alcohol 1033.22
    acetylacetone 679.83
    n-hexadecane 75.29
    acetophenone 307.43
    methyl propionate 628.34
    isopentyl acetate 421.7
    trichloroethylene 1032.45
    n-nonanol 428.73
    cyclohexanol 998.11
    benzyl alcohol 325.25
    2-ethylhexanol 507.84
    isooctanol 262.71
    dipropyl ether 525.7
    1,2-dichlorobenzene 349.25
    ethyl lactate 203.35
    propylene carbonate 579.9
    n-methylformamide 668.59
    2-pentanol 823.82
    n-pentane 450.92
    1-propoxy-2-propanol 726.01
    1-methoxy-2-propyl acetate 461.15
    2-(2-methoxypropoxy) propanol 440.66
    mesitylene 179.81
    ε-caprolactone 904.6
    p-cymene 152.12
    epichlorohydrin 946.16
    1,1,1-trichloroethane 788.99
    2-aminoethanol 665.72
    morpholine-4-carbaldehyde 1151.43
    sulfolane 1111.31
    2,2,4-trimethylpentane 156.39
    2-methyltetrahydrofuran 1489.52
    n-hexyl acetate 709.51
    isooctane 101.67
    2-(2-butoxyethoxy)ethanol 649.2
    sec-butyl acetate 269.99
    tert-butyl acetate 480.28
    decalin 167.59
    glycerin 569.41
    diglyme 865.96
    acrylic acid 783.55
    isopropyl myristate 237.97
    n-butyric acid 1065.07
    acetyl acetate 508.43
    di(2-ethylhexyl) phthalate 201.78
    ethyl propionate 378.14
    nitromethane 1435.92
    1,2-diethoxyethane 648.89
    benzonitrile 433.54
    trioctyl phosphate 152.37
    1-bromopropane 650.23
    gamma-valerolactone 1208.78
    n-decanol 301.33
    triethyl phosphate 154.7
    4-methyl-2-pentanol 355.44
    propionitrile 712.83
    vinylene carbonate 497.86
    1,1,2-trichlorotrifluoroethane 664.04
    DMS 373.39
    cumene 162.98
    2-octanol 294.63
    2-hexanone 470.87
    octyl acetate 322.75
    limonene 296.66
    1,2-dimethoxyethane 910.04
    ethyl orthosilicate 162.18
    tributyl phosphate 190.93
    diacetone alcohol 555.8
    N,N-dimethylaniline 268.01
    acrylonitrile 688.72
    aniline 464.83
    1,3-propanediol 790.51
    bromobenzene 385.93
    dibromomethane 932.04
    1,1,2,2-tetrachloroethane 839.34
    2-methyl-cyclohexyl acetate 290.76
    tetrabutyl urea 249.13
    diisobutyl methanol 224.62
    2-phenylethanol 378.34
    styrene 252.31
    dioctyl adipate 293.26
    dimethyl sulfate 315.58
    ethyl butyrate 327.43
    methyl lactate 332.57
    butyl lactate 263.09
    diethyl carbonate 199.38
    propanediol butyl ether 500.96
    triethyl orthoformate 230.53
    p-tert-butyltoluene 155.76
    methyl 4-tert-butylbenzoate 313.28
    morpholine 1453.68
    tert-butylamine 897.46
    n-dodecanol 222.44
    dimethoxymethane 706.46
    ethylene carbonate 444.07
    cyrene 332.02
    2-ethoxyethyl acetate 435.85
    2-ethylhexyl acetate 337.91
    1,2,4-trichlorobenzene 400.05
    4-methylpyridine 754.73
    dibutyl ether 529.1
    2,6-dimethyl-4-heptanol 224.62
    DEF 805.82
    dimethyl isosorbide 591.65
    tetrachloroethylene 601.11
    eugenol 309.03
    triacetin 453.94
    span 80 471.51
    1,4-butanediol 340.48
    1,1-dichloroethane 880.17
    2-methyl-1-pentanol 533.05
    methyl formate 499.29
    2-methyl-1-butanol 761.64
    n-decane 123.98
    butyronitrile 771.62
    3,7-dimethyl-1-octanol 427.38
    1-chlorooctane 345.39
    1-chlorotetradecane 133.18
    n-nonane 140.69
    undecane 88.78
    tert-butylcyclohexane 176.3
    cyclooctane 165.57
    cyclopentanol 1047.86
    tetrahydropyran 1493.88
    tert-amyl methyl ether 687.66
    2,5,8-trioxanonane 630.35
    1-hexene 858.44
    2-isopropoxyethanol 484.08
    2,2,2-trifluoroethanol 481.31
    methyl butyrate 449.42

    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