4,6-Dimethyl-5-hepten-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    31162-48-8

    Molecular formula
    C9H16O

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

    Safety labels

  • Odor profile

    Fragrance
    Green 70.48%
    Herbal 65.63%
    Fruity 65.35%
    Citrus 56.09%
    Sweet 53.47%
    Floral 53.46%
    Woody 50.96%
    Fresh 50.49%
    Lemon 41.47%
    Spicy 40.95%

     

    Flavor
    Green 70.42%
    Floral 56.75%
    Fruity 50.68%
    Sweet 48.19%
    Citrus 47.22%
    Herbal 40.26%
    Woody 39.92%
    Earthy 37.94%
    Lavender 37.16%
    Tropical 33.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.0 (weak base)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    179°C

    Flash point

    • 67.63 ˚C est.

  • Synonyms

    • 4,6-Dimethyl-5-hepten-2-one
    • 4,6-dimethylhept-5-en-2-one
    • 5-Hepten-2-one, 4,6-dimethyl-
    • 31162-48-8
    • DTXSID00336896
    • RefChem:285927
    • DTXCID90287984
    • SUBNDNOQXVTHOF-UHFFFAOYSA-N
    • 4,6-dimethyl-5-heptene-2-on
    • SCHEMBL11448673
    • 31162-48-8

  • Applications

    4,6-Dimethyl-5-hepten-2-one, CAS number: 31162-48-8, is primarily used as a fragrance ingredient in perfumery and cosmetics, acting as an odorant and contributing to fragrance longevity and character. It is commonly employed as an intermediate in the synthesis of other aroma compounds within fragrance supply chains. In personal care and household products, it may be incorporated as an additional fragrance note to enhance scent profiles. In coatings, paints, and inks, it may be used as a fragrance additive to impart or augment odor in the finished product. It may also be evaluated for flavor/aroma applications in select food-related formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2055.17
    methanol 2338.12
    isopropanol 1436.35
    water 10.88
    ethyl acetate 954.96
    n-propanol 1378.41
    acetone 1154.08
    n-butanol 1431.36
    acetonitrile 1034.16
    DMF 1008.16
    toluene 484.0
    isobutanol 943.3
    1,4-dioxane 2421.75
    methyl acetate 792.99
    THF 3161.83
    2-butanone 812.99
    n-pentanol 828.08
    sec-butanol 1148.27
    n-hexane 644.6
    ethylene glycol 356.54
    NMP 1225.63
    cyclohexane 920.34
    DMSO 664.65
    n-butyl acetate 955.17
    n-octanol 761.98
    chloroform 2267.24
    n-propyl acetate 495.42
    acetic acid 1498.59
    dichloromethane 1602.18
    cyclohexanone 1494.61
    propylene glycol 499.43
    isopropyl acetate 562.94
    DMAc 805.68
    2-ethoxyethanol 712.25
    isopentanol 1025.19
    n-heptane 602.36
    ethyl formate 641.46
    1,2-dichloroethane 802.18
    n-hexanol 1724.19
    2-methoxyethanol 1429.27
    isobutyl acetate 329.31
    tetrachloromethane 567.02
    n-pentyl acetate 511.34
    transcutol 2255.26
    n-heptanol 642.49
    ethylbenzene 298.23
    MIBK 476.48
    2-propoxyethanol 1552.68
    tert-butanol 1455.13
    MTBE 1112.61
    2-butoxyethanol 714.56
    propionic acid 882.07
    o-xylene 334.82
    formic acid 494.05
    diethyl ether 1395.55
    m-xylene 365.72
    p-xylene 365.27
    chlorobenzene 531.52
    dimethyl carbonate 252.44
    n-octane 154.52
    formamide 410.61
    cyclopentanone 1280.59
    2-pentanone 814.85
    anisole 454.19
    cyclopentyl methyl ether 1448.87
    gamma-butyrolactone 1451.47
    1-methoxy-2-propanol 1026.66
    pyridine 935.79
    3-pentanone 559.3
    furfural 951.99
    n-dodecane 107.85
    diethylene glycol 916.75
    diisopropyl ether 418.22
    tert-amyl alcohol 1137.25
    acetylacetone 685.31
    n-hexadecane 117.51
    acetophenone 368.54
    methyl propionate 612.51
    isopentyl acetate 731.31
    trichloroethylene 1346.95
    n-nonanol 620.19
    cyclohexanol 1436.98
    benzyl alcohol 379.49
    2-ethylhexanol 886.05
    isooctanol 427.98
    dipropyl ether 1006.56
    1,2-dichlorobenzene 457.73
    ethyl lactate 243.62
    propylene carbonate 864.32
    n-methylformamide 631.44
    2-pentanol 940.12
    n-pentane 598.96
    1-propoxy-2-propanol 1121.84
    1-methoxy-2-propyl acetate 704.4
    2-(2-methoxypropoxy) propanol 618.71
    mesitylene 241.15
    ε-caprolactone 1236.35
    p-cymene 300.26
    epichlorohydrin 1249.67
    1,1,1-trichloroethane 1040.25
    2-aminoethanol 709.21
    morpholine-4-carbaldehyde 1381.87
    sulfolane 1050.96
    2,2,4-trimethylpentane 181.49
    2-methyltetrahydrofuran 2238.55
    n-hexyl acetate 1022.1
    isooctane 131.39
    2-(2-butoxyethoxy)ethanol 891.18
    sec-butyl acetate 341.26
    tert-butyl acetate 607.59
    decalin 252.61
    glycerin 530.99
    diglyme 1209.03
    acrylic acid 621.52
    isopropyl myristate 356.61
    n-butyric acid 1276.37
    acetyl acetate 596.58
    di(2-ethylhexyl) phthalate 322.2
    ethyl propionate 432.71
    nitromethane 1149.62
    1,2-diethoxyethane 861.48
    benzonitrile 524.56
    trioctyl phosphate 256.55
    1-bromopropane 823.9
    gamma-valerolactone 1581.67
    n-decanol 434.24
    triethyl phosphate 261.06
    4-methyl-2-pentanol 463.45
    propionitrile 727.44
    vinylene carbonate 739.65
    1,1,2-trichlorotrifluoroethane 917.38
    DMS 462.85
    cumene 217.74
    2-octanol 464.14
    2-hexanone 560.74
    octyl acetate 480.15
    limonene 573.3
    1,2-dimethoxyethane 1237.44
    ethyl orthosilicate 269.17
    tributyl phosphate 301.08
    diacetone alcohol 643.11
    N,N-dimethylaniline 328.45
    acrylonitrile 616.08
    aniline 550.15
    1,3-propanediol 909.39
    bromobenzene 517.76
    dibromomethane 1242.14
    1,1,2,2-tetrachloroethane 1159.15
    2-methyl-cyclohexyl acetate 501.12
    tetrabutyl urea 373.95
    diisobutyl methanol 395.92
    2-phenylethanol 583.14
    styrene 328.77
    dioctyl adipate 453.77
    dimethyl sulfate 275.95
    ethyl butyrate 578.87
    methyl lactate 326.29
    butyl lactate 405.09
    diethyl carbonate 367.29
    propanediol butyl ether 699.68
    triethyl orthoformate 424.5
    p-tert-butyltoluene 287.29
    methyl 4-tert-butylbenzoate 446.93
    morpholine 2643.54
    tert-butylamine 1152.82
    n-dodecanol 322.32
    dimethoxymethane 902.72
    ethylene carbonate 665.02
    cyrene 439.33
    2-ethoxyethyl acetate 573.84
    2-ethylhexyl acetate 626.7
    1,2,4-trichlorobenzene 531.39
    4-methylpyridine 939.79
    dibutyl ether 779.95
    2,6-dimethyl-4-heptanol 395.92
    DEF 793.45
    dimethyl isosorbide 948.57
    tetrachloroethylene 854.15
    eugenol 414.29
    triacetin 600.46
    span 80 707.76
    1,4-butanediol 338.64
    1,1-dichloroethane 1010.05
    2-methyl-1-pentanol 619.22
    methyl formate 506.07
    2-methyl-1-butanol 950.66
    n-decane 191.87
    butyronitrile 1006.67
    3,7-dimethyl-1-octanol 617.35
    1-chlorooctane 483.13
    1-chlorotetradecane 192.83
    n-nonane 215.54
    undecane 136.06
    tert-butylcyclohexane 226.62
    cyclooctane 314.88
    cyclopentanol 1236.89
    tetrahydropyran 2631.91
    tert-amyl methyl ether 845.41
    2,5,8-trioxanonane 870.2
    1-hexene 869.84
    2-isopropoxyethanol 501.08
    2,2,2-trifluoroethanol 409.09
    methyl butyrate 573.51

    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