7-Methyl-3-octen-2-one, (3E)-

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  • Identifiers

    CAS number
    33046-81-0

    Molecular formula
    C9H16O

    SMILES
    CC(C)CC/C=C/C(=O)C

  • Odor profile

    Fragrance
    Fruity 85.4%
    Herbal 64.19%
    Fatty 60.72%
    Ketonic 59.1%
    Green 59.03%
    Sweet 55.77%
    Earthy 54.25%
    Oily 51.39%
    Cheesy 49.71%
    Spicy 48.26%

     

    Flavor
    Fruity 63.53%
    Floral 55.65%
    Sweet 39.67%
    Herbal 39.42%
    Spicy 34.44%
    Woody 32.0%
    Green 28.5%
    Tropical 27.83%
    Mushroom 27.52%
    Oily 26.84%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    9.37 (weak base)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 198.00 °C. @ 760.00 mm Hg

    Flash point

    • 61.74 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 7-METHYL-3-OCTEN-2-ONE
    • 7-Methyloct-3-en-2-one
    • (E)-7-methyloct-3-en-2-one
    • 33046-81-0
    • 3-Octen-2-one, 7-methyl-
    • (E)-7-methyl-3-octen-2-one
    • Fema No. 3868
    • 7-Methyl-3-octen-2-one, (3E)-
    • 382AW7VZ7R
    • EINECS 251-361-8
    • UNII-382AW7VZ7R
    • 3-Octen-2-one, 7-methyl-, (3E)-
    • (E)-7-Methyl-3-octen-2-one [FHFI]
    • (3E)-7-Methyl-3-octen-2-one
    • 1004754-77-1
    • (3E)-7-METHYLOCT-3-EN-2-ONE
    • SCHEMBL1783404
    • FEMA 3868
    • DTXSID50865661
    • CHEBI:195700
    • AKOS006326859
    • Q27256728

  • Applications

    7-Methyl-3-octen-2-one, (3E)- (CAS 33046-81-0) is primarily encountered as an odorant in perfumery and fragrance formulations, contributing green, leafy notes; it is commonly evaluated for use as a flavor/aroma compound in limited, regulated food and beverage applications; in cosmetics and personal care it is used as a fragrance ingredient in creams, lotions and soaps; in household products it serves as a fragrance additive for air fresheners, detergents and cleaners; and in industrial manufacturing it is used as an intermediate in the synthesis of fragrance compounds and may be incorporated as a scent component in polymer or coating formulations where permitted by regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1627.06
    methanol 1781.37
    isopropanol 1371.81
    water 2.55
    ethyl acetate 1091.41
    n-propanol 1424.8
    acetone 1962.8
    n-butanol 1393.0
    acetonitrile 906.81
    DMF 1796.82
    toluene 650.84
    isobutanol 1095.08
    1,4-dioxane 1578.37
    methyl acetate 1067.11
    THF 2322.96
    2-butanone 1598.49
    n-pentanol 974.8
    sec-butanol 1315.38
    n-hexane 767.54
    ethylene glycol 417.26
    NMP 1650.81
    cyclohexane 496.02
    DMSO 1613.13
    n-butyl acetate 973.18
    n-octanol 526.55
    chloroform 2528.11
    n-propyl acetate 756.55
    acetic acid 1268.21
    dichloromethane 1567.6
    cyclohexanone 1751.09
    propylene glycol 759.07
    isopropyl acetate 755.96
    DMAc 1465.6
    2-ethoxyethanol 979.89
    isopentanol 1239.43
    n-heptane 183.42
    ethyl formate 541.6
    1,2-dichloroethane 1277.8
    n-hexanol 1265.59
    2-methoxyethanol 1534.59
    isobutyl acetate 510.46
    tetrachloromethane 727.03
    n-pentyl acetate 515.0
    transcutol 3512.94
    n-heptanol 425.04
    ethylbenzene 399.88
    MIBK 767.03
    2-propoxyethanol 1514.91
    tert-butanol 1756.36
    MTBE 1767.21
    2-butoxyethanol 679.69
    propionic acid 1177.95
    o-xylene 415.24
    formic acid 483.78
    diethyl ether 1488.59
    m-xylene 469.63
    p-xylene 455.78
    chlorobenzene 814.6
    dimethyl carbonate 318.13
    n-octane 62.52
    formamide 489.24
    cyclopentanone 1824.08
    2-pentanone 1303.23
    anisole 681.24
    cyclopentyl methyl ether 1446.8
    gamma-butyrolactone 1560.48
    1-methoxy-2-propanol 1285.37
    pyridine 1213.04
    3-pentanone 994.31
    furfural 1236.08
    n-dodecane 35.81
    diethylene glycol 927.22
    diisopropyl ether 492.21
    tert-amyl alcohol 1630.86
    acetylacetone 1013.53
    n-hexadecane 41.51
    acetophenone 569.46
    methyl propionate 870.63
    isopentyl acetate 873.13
    trichloroethylene 2336.9
    n-nonanol 415.01
    cyclohexanol 1314.2
    benzyl alcohol 556.89
    2-ethylhexanol 680.25
    isooctanol 348.02
    dipropyl ether 698.4
    1,2-dichlorobenzene 701.73
    ethyl lactate 356.32
    propylene carbonate 896.76
    n-methylformamide 852.27
    2-pentanol 1043.91
    n-pentane 405.12
    1-propoxy-2-propanol 1080.11
    1-methoxy-2-propyl acetate 844.52
    2-(2-methoxypropoxy) propanol 708.65
    mesitylene 321.29
    ε-caprolactone 1379.54
    p-cymene 235.56
    epichlorohydrin 1664.68
    1,1,1-trichloroethane 1728.03
    2-aminoethanol 874.97
    morpholine-4-carbaldehyde 1407.25
    sulfolane 1902.54
    2,2,4-trimethylpentane 205.16
    2-methyltetrahydrofuran 2067.59
    n-hexyl acetate 869.78
    isooctane 144.31
    2-(2-butoxyethoxy)ethanol 1018.99
    sec-butyl acetate 576.03
    tert-butyl acetate 948.54
    decalin 243.72
    glycerin 812.53
    diglyme 1477.09
    acrylic acid 954.83
    isopropyl myristate 284.1
    n-butyric acid 1338.62
    acetyl acetate 588.02
    di(2-ethylhexyl) phthalate 283.69
    ethyl propionate 655.99
    nitromethane 1366.0
    1,2-diethoxyethane 1020.36
    benzonitrile 649.86
    trioctyl phosphate 209.69
    1-bromopropane 1088.56
    gamma-valerolactone 1877.01
    n-decanol 285.58
    triethyl phosphate 249.39
    4-methyl-2-pentanol 562.38
    propionitrile 910.93
    vinylene carbonate 722.36
    1,1,2-trichlorotrifluoroethane 1571.64
    DMS 581.09
    cumene 280.91
    2-octanol 310.68
    2-hexanone 1028.86
    octyl acetate 367.91
    limonene 416.88
    1,2-dimethoxyethane 1425.63
    ethyl orthosilicate 284.58
    tributyl phosphate 287.57
    diacetone alcohol 1051.66
    N,N-dimethylaniline 467.72
    acrylonitrile 910.17
    aniline 875.38
    1,3-propanediol 969.97
    bromobenzene 800.12
    dibromomethane 1368.85
    1,1,2,2-tetrachloroethane 2270.56
    2-methyl-cyclohexyl acetate 487.47
    tetrabutyl urea 337.4
    diisobutyl methanol 352.6
    2-phenylethanol 615.33
    styrene 507.72
    dioctyl adipate 377.55
    dimethyl sulfate 505.78
    ethyl butyrate 533.57
    methyl lactate 508.13
    butyl lactate 489.57
    diethyl carbonate 317.13
    propanediol butyl ether 842.21
    triethyl orthoformate 416.93
    p-tert-butyltoluene 245.97
    methyl 4-tert-butylbenzoate 488.42
    morpholine 2052.64
    tert-butylamine 1301.5
    n-dodecanol 205.36
    dimethoxymethane 893.85
    ethylene carbonate 652.77
    cyrene 545.97
    2-ethoxyethyl acetate 666.79
    2-ethylhexyl acetate 694.28
    1,2,4-trichlorobenzene 855.04
    4-methylpyridine 1292.67
    dibutyl ether 646.86
    2,6-dimethyl-4-heptanol 352.6
    DEF 1206.55
    dimethyl isosorbide 878.81
    tetrachloroethylene 1512.12
    eugenol 484.51
    triacetin 665.44
    span 80 715.05
    1,4-butanediol 431.98
    1,1-dichloroethane 1583.03
    2-methyl-1-pentanol 900.99
    methyl formate 569.18
    2-methyl-1-butanol 1226.42
    n-decane 74.61
    butyronitrile 972.7
    3,7-dimethyl-1-octanol 587.34
    1-chlorooctane 338.3
    1-chlorotetradecane 105.75
    n-nonane 85.29
    undecane 49.54
    tert-butylcyclohexane 247.83
    cyclooctane 165.15
    cyclopentanol 1194.02
    tetrahydropyran 1953.86
    tert-amyl methyl ether 1275.4
    2,5,8-trioxanonane 896.47
    1-hexene 1392.17
    2-isopropoxyethanol 762.39
    2,2,2-trifluoroethanol 435.67
    methyl butyrate 827.99

    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