Oct-4-en-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    33665-27-9

    Molecular formula
    C8H14O

    SMILES
    CCCC=CCC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 82.98%
    Green 78.03%
    Fatty 70.76%
    Herbal 69.9%
    Earthy 60.59%
    Cheesy 51.98%
    Dairy 49.55%
    Spicy 46.77%
    Ketonic 45.9%
    Mushroom 45.88%

     

    Flavor
    Fruity 49.86%
    Green 44.74%
    Fatty 36.35%
    Spicy 34.79%
    Mushroom 33.21%
    Fresh 32.65%
    Herbal 31.41%
    Floral 31.12%
    Earthy 29.67%
    Oily 26.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.99 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    170°C

    Flash point

    • 53.55 ˚C est.

  • Synonyms

    • oct-4-en-2-one
    • 33665-27-9
    • DTXSID00955283
    • RefChem:1093731
    • DTXCID901383284
    • 4-OCTEN-2-ONE
    • SCHEMBL2651303
    • SCHEMBL22639085
    • 33665-27-9

  • Applications

    Oct-4-en-2-one (CAS 33665-27-9) is used as an odorant and as an intermediate in fragrance synthesis, with practical applications across several industries: perfumery/fragrance (odor-active component and synthesis intermediate), cosmetics/personal care (fragrance ingredient), household products (scented cleaners and air fresheners), and may be evaluated as a flavor intermediate in flavor development; it can also serve as a precursor for the synthesis of additional fragrance compounds in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2692.52
    methanol 3216.3
    isopropanol 2097.95
    water 3.39
    ethyl acetate 1054.81
    n-propanol 2015.48
    acetone 2549.83
    n-butanol 1889.26
    acetonitrile 1308.17
    DMF 2319.02
    toluene 633.95
    isobutanol 1401.59
    1,4-dioxane 1860.98
    methyl acetate 1076.1
    THF 2456.34
    2-butanone 1564.72
    n-pentanol 1168.5
    sec-butanol 1661.14
    n-hexane 812.24
    ethylene glycol 727.79
    NMP 1780.75
    cyclohexane 555.72
    DMSO 2249.74
    n-butyl acetate 894.23
    n-octanol 573.29
    chloroform 2699.7
    n-propyl acetate 678.84
    acetic acid 1679.29
    dichloromethane 1728.87
    cyclohexanone 2022.5
    propylene glycol 1138.69
    isopropyl acetate 659.37
    DMAc 1583.74
    2-ethoxyethanol 1073.6
    isopentanol 1407.08
    n-heptane 246.96
    ethyl formate 581.95
    1,2-dichloroethane 1174.4
    n-hexanol 1464.02
    2-methoxyethanol 1958.44
    isobutyl acetate 457.68
    tetrachloromethane 649.59
    n-pentyl acetate 501.41
    transcutol 3529.18
    n-heptanol 465.54
    ethylbenzene 367.04
    MIBK 665.06
    2-propoxyethanol 1579.52
    tert-butanol 2198.62
    MTBE 1526.06
    2-butoxyethanol 686.3
    propionic acid 1403.66
    o-xylene 388.55
    formic acid 539.53
    diethyl ether 1495.28
    m-xylene 431.98
    p-xylene 424.38
    chlorobenzene 744.06
    dimethyl carbonate 287.45
    n-octane 73.26
    formamide 542.19
    cyclopentanone 1931.34
    2-pentanone 1300.54
    anisole 621.83
    cyclopentyl methyl ether 1383.74
    gamma-butyrolactone 1631.14
    1-methoxy-2-propanol 1543.21
    pyridine 1449.33
    3-pentanone 888.89
    furfural 1181.23
    n-dodecane 48.92
    diethylene glycol 1096.66
    diisopropyl ether 403.48
    tert-amyl alcohol 1733.08
    acetylacetone 990.37
    n-hexadecane 54.93
    acetophenone 529.59
    methyl propionate 804.38
    isopentyl acetate 785.3
    trichloroethylene 2091.53
    n-nonanol 449.72
    cyclohexanol 1609.52
    benzyl alcohol 549.64
    2-ethylhexanol 732.54
    isooctanol 358.63
    dipropyl ether 725.77
    1,2-dichlorobenzene 604.89
    ethyl lactate 336.18
    propylene carbonate 823.62
    n-methylformamide 1033.07
    2-pentanol 1250.47
    n-pentane 453.15
    1-propoxy-2-propanol 1111.51
    1-methoxy-2-propyl acetate 720.31
    2-(2-methoxypropoxy) propanol 686.65
    mesitylene 272.36
    ε-caprolactone 1295.65
    p-cymene 219.89
    epichlorohydrin 1458.67
    1,1,1-trichloroethane 1447.24
    2-aminoethanol 1291.39
    morpholine-4-carbaldehyde 1477.44
    sulfolane 1839.78
    2,2,4-trimethylpentane 163.13
    2-methyltetrahydrofuran 2095.37
    n-hexyl acetate 880.92
    isooctane 121.04
    2-(2-butoxyethoxy)ethanol 975.36
    sec-butyl acetate 464.79
    tert-butyl acetate 737.69
    decalin 224.37
    glycerin 1094.23
    diglyme 1446.36
    acrylic acid 1098.82
    isopropyl myristate 279.15
    n-butyric acid 1643.24
    acetyl acetate 545.5
    di(2-ethylhexyl) phthalate 281.5
    ethyl propionate 544.95
    nitromethane 1609.07
    1,2-diethoxyethane 1002.38
    benzonitrile 750.44
    trioctyl phosphate 205.78
    1-bromopropane 1146.51
    gamma-valerolactone 1775.82
    n-decanol 318.97
    triethyl phosphate 223.51
    4-methyl-2-pentanol 567.46
    propionitrile 1087.18
    vinylene carbonate 711.46
    1,1,2-trichlorotrifluoroethane 1439.46
    DMS 524.22
    cumene 245.01
    2-octanol 340.82
    2-hexanone 994.83
    octyl acetate 358.49
    limonene 422.41
    1,2-dimethoxyethane 1548.19
    ethyl orthosilicate 245.95
    tributyl phosphate 271.69
    diacetone alcohol 920.15
    N,N-dimethylaniline 425.99
    acrylonitrile 1112.34
    aniline 906.88
    1,3-propanediol 1315.48
    bromobenzene 733.28
    dibromomethane 1496.68
    1,1,2,2-tetrachloroethane 1927.82
    2-methyl-cyclohexyl acetate 452.02
    tetrabutyl urea 340.82
    diisobutyl methanol 356.12
    2-phenylethanol 583.13
    styrene 497.14
    dioctyl adipate 400.8
    dimethyl sulfate 473.61
    ethyl butyrate 509.18
    methyl lactate 499.31
    butyl lactate 449.01
    diethyl carbonate 304.64
    propanediol butyl ether 929.44
    triethyl orthoformate 375.81
    p-tert-butyltoluene 220.6
    methyl 4-tert-butylbenzoate 446.5
    morpholine 2415.9
    tert-butylamine 1477.78
    n-dodecanol 231.99
    dimethoxymethane 969.99
    ethylene carbonate 612.17
    cyrene 523.98
    2-ethoxyethyl acetate 598.27
    2-ethylhexyl acetate 604.14
    1,2,4-trichlorobenzene 719.08
    4-methylpyridine 1466.46
    dibutyl ether 681.5
    2,6-dimethyl-4-heptanol 356.12
    DEF 1278.22
    dimethyl isosorbide 825.88
    tetrachloroethylene 1354.3
    eugenol 463.28
    triacetin 679.18
    span 80 728.82
    1,4-butanediol 566.27
    1,1-dichloroethane 1530.62
    2-methyl-1-pentanol 930.56
    methyl formate 646.4
    2-methyl-1-butanol 1380.21
    n-decane 93.64
    butyronitrile 1186.09
    3,7-dimethyl-1-octanol 560.31
    1-chlorooctane 355.98
    1-chlorotetradecane 119.57
    n-nonane 105.94
    undecane 64.44
    tert-butylcyclohexane 217.88
    cyclooctane 165.08
    cyclopentanol 1560.16
    tetrahydropyran 2314.37
    tert-amyl methyl ether 1035.52
    2,5,8-trioxanonane 945.2
    1-hexene 1549.75
    2-isopropoxyethanol 772.87
    2,2,2-trifluoroethanol 423.55
    methyl butyrate 767.44

    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