4-Octen-3-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    14129-48-7

    Molecular formula
    C8H14O

    SMILES
    CCCC=CC(=O)CC

  • Odor profile

    Fruity 86.65%
    Herbal 66.58%
    Green 64.46%
    Ketonic 61.48%
    Cheesy 56.17%
    Earthy 53.78%
    Sweet 51.26%
    Fatty 50.75%
    Mushroom 49.1%
    Fresh 48.66%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    168°C

    Flash point est.
    54.21 ˚C

    Solubility expt.

    • Sparingly soluble in water; soluble in many non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • Oct-4-en-3-one
    • 4-Octen-3-one
    • 14129-48-7
    • UNII-5Q55OU7FEN
    • 5Q55OU7FEN
    • DTXSID1065712
    • (E)-oct-4-en-3-one
    • methylheptenon
    • Oct4en3one
    • DTXCID8034588
    • FEMA NO. 4328
    • 4-OCTEN-3-ONE [FHFI]
    • CHEBI:177003
    • (E,Z)-4-OCTEN-3-ONE

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3059.79
    methanol 2910.14
    isopropanol 2701.82
    water 1.08
    ethyl acetate 1785.16
    n-propanol 2356.62
    acetone 2928.2
    n-butanol 2350.0
    acetonitrile 2425.41
    DMF 2518.55
    toluene 954.95
    isobutanol 1884.78
    1,4-dioxane 2419.02
    methyl acetate 1434.06
    THF 2934.77
    2-butanone 1960.95
    n-pentanol 1645.33
    sec-butanol 2235.3
    n-hexane 1133.3
    ethylene glycol 336.62
    NMP 2030.07
    cyclohexane 1186.71
    DMSO 2182.55
    n-butyl acetate 2455.62
    n-octanol 996.27
    chloroform 5488.93
    n-propyl acetate 1241.1
    acetic acid 2049.74
    dichloromethane 4574.45
    cyclohexanone 2938.97
    propylene glycol 555.68
    isopropyl acetate 1078.18
    DMAc 1426.46
    2-ethoxyethanol 1095.42
    isopentanol 1971.54
    n-heptane 622.11
    ethyl formate 1202.53
    1,2-dichloroethane 2410.22
    n-hexanol 2339.5
    2-methoxyethanol 1781.12
    isobutyl acetate 730.47
    tetrachloromethane 1120.26
    n-pentyl acetate 1121.19
    transcutol 3660.52
    n-heptanol 863.53
    ethylbenzene 661.38
    MIBK 937.7
    2-propoxyethanol 1899.26
    tert-butanol 2773.09
    MTBE 2014.9
    2-butoxyethanol 1040.96
    propionic acid 1540.69
    o-xylene 556.46
    formic acid 400.0
    diethyl ether 2183.22
    m-xylene 593.28
    p-xylene 836.7
    chlorobenzene 1531.73
    dimethyl carbonate 334.66
    n-octane 209.91
    formamide 529.48
    cyclopentanone 2552.82
    2-pentanone 1815.14
    anisole 964.69
    cyclopentyl methyl ether 1588.66
    gamma-butyrolactone 2432.46
    1-methoxy-2-propanol 1348.48
    pyridine 2622.03
    3-pentanone 1060.55
    furfural 1870.45
    n-dodecane 129.08
    diethylene glycol 952.51
    diisopropyl ether 605.61
    tert-amyl alcohol 2081.95
    acetylacetone 1285.31
    n-hexadecane 147.41
    acetophenone 863.35
    methyl propionate 1007.17
    isopentyl acetate 1830.39
    trichloroethylene 4355.36
    n-nonanol 775.53
    cyclohexanol 2127.03
    benzyl alcohol 823.58
    2-ethylhexanol 1390.77
    isooctanol 651.27
    dipropyl ether 1385.25
    1,2-dichlorobenzene 1204.32
    ethyl lactate 402.23
    propylene carbonate 1422.38
    n-methylformamide 1210.6
    2-pentanol 1703.76
    n-pentane 781.71
    1-propoxy-2-propanol 1553.84
    1-methoxy-2-propyl acetate 1065.98
    2-(2-methoxypropoxy) propanol 809.77
    mesitylene 407.13
    ε-caprolactone 2178.58
    p-cymene 461.0
    epichlorohydrin 2454.6
    1,1,1-trichloroethane 2761.09
    2-aminoethanol 823.93
    morpholine-4-carbaldehyde 1706.33
    sulfolane 2362.99
    2,2,4-trimethylpentane 242.46
    2-methyltetrahydrofuran 2911.12
    n-hexyl acetate 1574.7
    isooctane 215.07
    2-(2-butoxyethoxy)ethanol 1150.33
    sec-butyl acetate 774.3
    tert-butyl acetate 970.72
    decalin 361.82
    glycerin 590.46
    diglyme 1840.81
    acrylic acid 1169.81
    isopropyl myristate 517.77
    n-butyric acid 2615.83
    acetyl acetate 846.25
    di(2-ethylhexyl) phthalate 434.27
    ethyl propionate 891.2
    nitromethane 2138.65
    1,2-diethoxyethane 1648.44
    benzonitrile 1600.95
    trioctyl phosphate 341.81
    1-bromopropane 2321.41
    gamma-valerolactone 2449.67
    n-decanol 531.7
    triethyl phosphate 409.45
    4-methyl-2-pentanol 804.35
    propionitrile 1939.24
    vinylene carbonate 1262.91
    1,1,2-trichlorotrifluoroethane 1591.5
    DMS 706.27
    cumene 427.29
    2-octanol 685.88
    2-hexanone 1499.79
    octyl acetate 656.43
    limonene 832.25
    1,2-dimethoxyethane 2161.09
    ethyl orthosilicate 425.43
    tributyl phosphate 452.52
    diacetone alcohol 923.72
    N,N-dimethylaniline 652.47
    acrylonitrile 2034.91
    aniline 1174.54
    1,3-propanediol 1143.66
    bromobenzene 1675.48
    dibromomethane 3561.9
    1,1,2,2-tetrachloroethane 3467.44
    2-methyl-cyclohexyl acetate 800.9
    tetrabutyl urea 551.22
    diisobutyl methanol 639.19
    2-phenylethanol 958.41
    styrene 940.18
    dioctyl adipate 658.47
    dimethyl sulfate 503.79
    ethyl butyrate 1209.11
    methyl lactate 440.14
    butyl lactate 688.32
    diethyl carbonate 706.81
    propanediol butyl ether 954.96
    triethyl orthoformate 702.96
    p-tert-butyltoluene 426.84
    methyl 4-tert-butylbenzoate 671.1
    morpholine 2995.83
    tert-butylamine 2242.37
    n-dodecanol 397.94
    dimethoxymethane 1041.14
    ethylene carbonate 1103.38
    cyrene 551.58
    2-ethoxyethyl acetate 1060.59
    2-ethylhexyl acetate 1386.01
    1,2,4-trichlorobenzene 1235.52
    4-methylpyridine 2634.58
    dibutyl ether 1315.69
    2,6-dimethyl-4-heptanol 639.19
    DEF 1814.93
    dimethyl isosorbide 1092.27
    tetrachloroethylene 2338.59
    eugenol 699.28
    triacetin 916.52
    span 80 885.77
    1,4-butanediol 514.37
    1,1-dichloroethane 3255.71
    2-methyl-1-pentanol 1332.29
    methyl formate 820.02
    2-methyl-1-butanol 1810.23
    n-decane 238.89
    butyronitrile 2660.02
    3,7-dimethyl-1-octanol 869.95
    1-chlorooctane 755.4
    1-chlorotetradecane 268.76
    n-nonane 273.08
    undecane 168.79
    tert-butylcyclohexane 346.99
    cyclooctane 298.15
    cyclopentanol 1941.31
    tetrahydropyran 3391.84
    tert-amyl methyl ether 1264.74
    2,5,8-trioxanonane 1189.31
    1-hexene 2300.73
    2-isopropoxyethanol 876.3
    2,2,2-trifluoroethanol 420.21
    methyl butyrate 1501.58

    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
Salvia pratensis (Italy) Salvia pratensis L. ssp. haematodes (L.) Briq., fam. Lamiaceae (Labiatae) 1.1%
Lemon balm (Slovak Republic) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.18%