7-Octen-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3664-60-6

    Molecular formula
    C8H14O

    SMILES
    CC(=O)CCCCC=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 71.94%
    Fatty 62.54%
    Cheesy 56.97%
    Green 55.87%
    Herbal 51.52%
    Earthy 47.84%
    Ketonic 42.11%
    Dairy 41.38%
    Mushroom 40.29%
    Fresh 34.46%

     

    Flavor
    Fruity 55.08%
    Herbal 32.02%
    Fresh 31.46%
    Floral 31.15%
    Mushroom 29.93%
    Spicy 28.91%
    Fatty 27.31%
    Green 26.76%
    Earthy 26.44%
    Sweet 24.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.23 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    170°C

    Flash point

    • 52.57 ˚C est.

  • Synonyms

    • 7-OCTEN-2-ONE
    • oct-7-en-2-one
    • 3664-60-6
    • CHEBI:87581
    • DTXSID30190105
    • SCHEMBL514535
    • DTXCID00112596
    • DAA66460
    • AKOS006324121
    • EN300-247829
    • Q27159749

  • Applications

    7-Octen-2-one (CAS 3664-60-6) is primarily used as an odorant in perfumery and as a fragrance component in cosmetics; it is often employed as an intermediate in the synthesis of aroma chemicals in industrial manufacturing; it may be used as a fragrance additive in household products and in coatings and inks; it can serve as a reactive building block in the preparation of specialty chemicals for various markets, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2087.05
    methanol 3006.47
    isopropanol 1656.64
    water 4.07
    ethyl acetate 865.53
    n-propanol 1688.91
    acetone 1761.12
    n-butanol 1547.86
    acetonitrile 906.38
    DMF 1689.89
    toluene 452.36
    isobutanol 1160.35
    1,4-dioxane 1414.77
    methyl acetate 876.39
    THF 1893.35
    2-butanone 1329.32
    n-pentanol 1006.15
    sec-butanol 1361.77
    n-hexane 651.04
    ethylene glycol 524.98
    NMP 1409.09
    cyclohexane 394.17
    DMSO 1626.66
    n-butyl acetate 744.83
    n-octanol 459.19
    chloroform 1937.59
    n-propyl acetate 601.42
    acetic acid 1370.7
    dichloromethane 1198.24
    cyclohexanone 1581.45
    propylene glycol 811.63
    isopropyl acetate 551.02
    DMAc 1224.89
    2-ethoxyethanol 989.92
    isopentanol 1181.67
    n-heptane 184.45
    ethyl formate 498.41
    1,2-dichloroethane 872.33
    n-hexanol 1131.78
    2-methoxyethanol 1659.81
    isobutyl acetate 406.47
    tetrachloromethane 477.2
    n-pentyl acetate 436.36
    transcutol 3135.7
    n-heptanol 385.83
    ethylbenzene 285.34
    MIBK 551.58
    2-propoxyethanol 1303.37
    tert-butanol 1647.98
    MTBE 1214.12
    2-butoxyethanol 577.89
    propionic acid 1205.21
    o-xylene 296.78
    formic acid 521.62
    diethyl ether 1253.73
    m-xylene 319.53
    p-xylene 350.83
    chlorobenzene 581.27
    dimethyl carbonate 206.85
    n-octane 55.65
    formamide 481.22
    cyclopentanone 1527.84
    2-pentanone 1022.75
    anisole 500.38
    cyclopentyl methyl ether 1116.67
    gamma-butyrolactone 1353.31
    1-methoxy-2-propanol 1260.42
    pyridine 1112.62
    3-pentanone 742.25
    furfural 1019.5
    n-dodecane 34.35
    diethylene glycol 913.05
    diisopropyl ether 333.19
    tert-amyl alcohol 1387.01
    acetylacetone 763.8
    n-hexadecane 38.53
    acetophenone 433.12
    methyl propionate 648.85
    isopentyl acetate 641.54
    trichloroethylene 1538.42
    n-nonanol 362.41
    cyclohexanol 1227.61
    benzyl alcohol 448.16
    2-ethylhexanol 588.21
    isooctanol 307.34
    dipropyl ether 589.01
    1,2-dichlorobenzene 478.6
    ethyl lactate 279.86
    propylene carbonate 690.45
    n-methylformamide 848.35
    2-pentanol 998.63
    n-pentane 349.55
    1-propoxy-2-propanol 909.06
    1-methoxy-2-propyl acetate 579.43
    2-(2-methoxypropoxy) propanol 573.29
    mesitylene 214.11
    ε-caprolactone 1119.39
    p-cymene 176.27
    epichlorohydrin 1166.13
    1,1,1-trichloroethane 1040.22
    2-aminoethanol 983.25
    morpholine-4-carbaldehyde 1196.24
    sulfolane 1394.12
    2,2,4-trimethylpentane 138.41
    2-methyltetrahydrofuran 1651.71
    n-hexyl acetate 706.96
    isooctane 95.82
    2-(2-butoxyethoxy)ethanol 824.47
    sec-butyl acetate 416.47
    tert-butyl acetate 622.87
    decalin 177.58
    glycerin 864.79
    diglyme 1186.92
    acrylic acid 939.21
    isopropyl myristate 222.41
    n-butyric acid 1349.08
    acetyl acetate 445.39
    di(2-ethylhexyl) phthalate 223.48
    ethyl propionate 484.43
    nitromethane 1323.12
    1,2-diethoxyethane 836.78
    benzonitrile 594.08
    trioctyl phosphate 163.28
    1-bromopropane 858.99
    gamma-valerolactone 1506.7
    n-decanol 251.5
    triethyl phosphate 189.57
    4-methyl-2-pentanol 481.02
    propionitrile 874.48
    vinylene carbonate 585.15
    1,1,2-trichlorotrifluoroethane 1111.14
    DMS 422.8
    cumene 202.61
    2-octanol 278.37
    2-hexanone 831.97
    octyl acetate 283.7
    limonene 325.66
    1,2-dimethoxyethane 1313.72
    ethyl orthosilicate 212.93
    tributyl phosphate 222.34
    diacetone alcohol 725.1
    N,N-dimethylaniline 339.19
    acrylonitrile 866.05
    aniline 673.28
    1,3-propanediol 1117.09
    bromobenzene 545.5
    dibromomethane 1041.63
    1,1,2,2-tetrachloroethane 1422.48
    2-methyl-cyclohexyl acetate 388.71
    tetrabutyl urea 272.43
    diisobutyl methanol 287.79
    2-phenylethanol 466.86
    styrene 377.21
    dioctyl adipate 317.9
    dimethyl sulfate 344.42
    ethyl butyrate 438.84
    methyl lactate 389.57
    butyl lactate 393.88
    diethyl carbonate 254.44
    propanediol butyl ether 745.51
    triethyl orthoformate 327.09
    p-tert-butyltoluene 176.48
    methyl 4-tert-butylbenzoate 371.49
    morpholine 1899.16
    tert-butylamine 1112.21
    n-dodecanol 180.2
    dimethoxymethane 721.77
    ethylene carbonate 527.74
    cyrene 433.88
    2-ethoxyethyl acetate 504.35
    2-ethylhexyl acetate 503.25
    1,2,4-trichlorobenzene 544.03
    4-methylpyridine 1128.28
    dibutyl ether 566.57
    2,6-dimethyl-4-heptanol 287.79
    DEF 993.2
    dimethyl isosorbide 687.15
    tetrachloroethylene 1035.62
    eugenol 373.94
    triacetin 533.54
    span 80 578.68
    1,4-butanediol 461.94
    1,1-dichloroethane 1118.18
    2-methyl-1-pentanol 857.9
    methyl formate 518.87
    2-methyl-1-butanol 1190.23
    n-decane 69.64
    butyronitrile 933.41
    3,7-dimethyl-1-octanol 451.72
    1-chlorooctane 266.79
    1-chlorotetradecane 87.06
    n-nonane 78.32
    undecane 46.54
    tert-butylcyclohexane 170.78
    cyclooctane 120.53
    cyclopentanol 1212.55
    tetrahydropyran 1837.76
    tert-amyl methyl ether 859.55
    2,5,8-trioxanonane 778.27
    1-hexene 1287.18
    2-isopropoxyethanol 703.53
    2,2,2-trifluoroethanol 370.94
    methyl butyrate 653.48

    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