6-Methylhept-5-en-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    86883-66-1

    Molecular formula
    C8H14O

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 79.02%
    Green 72.22%
    Herbal 61.53%
    Fresh 43.0%
    Ketonic 39.77%
    Cheesy 37.73%
    Sweet 37.71%
    Citrus 36.02%
    Earthy 35.7%
    Fatty 35.41%

     

    Flavor
    Green 67.12%
    Fruity 50.61%
    Spicy 37.99%
    Herbal 37.81%
    Sweet 34.59%
    Earthy 33.79%
    Nutty 33.33%
    Ethereal 32.79%
    Pungent 29.51%
    Herb 28.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    9.5 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    175°C

    Flash point

    • 50.68 ˚C est.

  • Synonyms

    • 6-methylhept-5-en-3-one
    • 86883-66-1
    • DTXSID00519142
    • RefChem:1074085
    • DTXCID70469948
    • 6-Methyl-5-hepten-3-one
    • 6-Methyl-hept-5-en-3-one
    • SCHEMBL9445371
    • RHAVXGQNJASKJW-UHFFFAOYSA-N
    • 86883-66-1

  • Applications

    Chemical name 6-Methylhept-5-en-3-one, CAS 86883-66-1, is commonly used as a fragrance ingredient and odorant in perfumery and personal care formulations; it also serves as an industrial intermediate in the synthesis of related aroma compounds. The compound is employed in household products such as air fresheners and cleaners as a scent component, and can be used as a fragrance additive in coatings and inks. In industrial manufacturing, it is often evaluated as an intermediate in fragrance chemistry and formulation development, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 535.47
    methanol 433.28
    isopropanol 609.48
    water 4.56
    ethyl acetate 197.12
    n-propanol 458.23
    acetone 304.73
    n-butanol 455.85
    acetonitrile 276.72
    DMF 457.52
    toluene 178.17
    isobutanol 388.25
    1,4-dioxane 449.88
    methyl acetate 269.29
    THF 448.47
    2-butanone 313.87
    n-pentanol 301.07
    sec-butanol 545.3
    n-hexane 109.5
    ethylene glycol 144.39
    NMP 316.89
    cyclohexane 108.44
    DMSO 274.4
    n-butyl acetate 218.76
    n-octanol 257.35
    chloroform 1073.26
    n-propyl acetate 122.59
    acetic acid 276.14
    dichloromethane 618.8
    cyclohexanone 352.7
    propylene glycol 302.19
    isopropyl acetate 130.61
    DMAc 444.14
    2-ethoxyethanol 281.5
    isopentanol 354.19
    n-heptane 91.55
    ethyl formate 170.6
    1,2-dichloroethane 256.28
    n-hexanol 455.62
    2-methoxyethanol 487.64
    isobutyl acetate 91.79
    tetrachloromethane 193.01
    n-pentyl acetate 155.13
    transcutol 612.3
    n-heptanol 239.32
    ethylbenzene 148.96
    MIBK 140.73
    2-propoxyethanol 436.54
    tert-butanol 632.73
    MTBE 308.0
    2-butoxyethanol 289.08
    propionic acid 305.46
    o-xylene 149.57
    formic acid 89.39
    diethyl ether 216.45
    m-xylene 133.35
    p-xylene 192.86
    chlorobenzene 209.15
    dimethyl carbonate 65.17
    n-octane 42.15
    formamide 105.54
    cyclopentanone 330.29
    2-pentanone 203.38
    anisole 220.3
    cyclopentyl methyl ether 213.27
    gamma-butyrolactone 301.06
    1-methoxy-2-propanol 435.93
    pyridine 372.15
    3-pentanone 160.69
    furfural 355.36
    n-dodecane 37.41
    diethylene glycol 287.86
    diisopropyl ether 74.38
    tert-amyl alcohol 507.19
    acetylacetone 176.67
    n-hexadecane 40.16
    acetophenone 188.42
    methyl propionate 164.22
    isopentyl acetate 202.5
    trichloroethylene 567.14
    n-nonanol 212.86
    cyclohexanol 360.67
    benzyl alcohol 213.2
    2-ethylhexanol 269.43
    isooctanol 174.52
    dipropyl ether 168.2
    1,2-dichlorobenzene 194.59
    ethyl lactate 109.42
    propylene carbonate 215.01
    n-methylformamide 212.47
    2-pentanol 337.38
    n-pentane 94.25
    1-propoxy-2-propanol 365.07
    1-methoxy-2-propyl acetate 189.94
    2-(2-methoxypropoxy) propanol 259.94
    mesitylene 88.19
    ε-caprolactone 314.4
    p-cymene 119.51
    epichlorohydrin 340.08
    1,1,1-trichloroethane 411.79
    2-aminoethanol 298.04
    morpholine-4-carbaldehyde 406.61
    sulfolane 294.93
    2,2,4-trimethylpentane 50.14
    2-methyltetrahydrofuran 414.77
    n-hexyl acetate 262.02
    isooctane 38.23
    2-(2-butoxyethoxy)ethanol 298.36
    sec-butyl acetate 104.28
    tert-butyl acetate 139.77
    decalin 67.32
    glycerin 273.0
    diglyme 430.21
    acrylic acid 237.33
    isopropyl myristate 112.22
    n-butyric acid 352.11
    acetyl acetate 121.32
    di(2-ethylhexyl) phthalate 119.7
    ethyl propionate 114.78
    nitromethane 281.96
    1,2-diethoxyethane 220.99
    benzonitrile 272.34
    trioctyl phosphate 86.83
    1-bromopropane 277.15
    gamma-valerolactone 425.52
    n-decanol 160.47
    triethyl phosphate 97.9
    4-methyl-2-pentanol 185.94
    propionitrile 294.79
    vinylene carbonate 221.09
    1,1,2-trichlorotrifluoroethane 368.18
    DMS 151.39
    cumene 116.17
    2-octanol 182.77
    2-hexanone 170.17
    octyl acetate 145.76
    limonene 175.08
    1,2-dimethoxyethane 383.51
    ethyl orthosilicate 96.95
    tributyl phosphate 97.9
    diacetone alcohol 227.31
    N,N-dimethylaniline 179.21
    acrylonitrile 308.22
    aniline 232.48
    1,3-propanediol 358.99
    bromobenzene 211.29
    dibromomethane 470.36
    1,1,2,2-tetrachloroethane 532.13
    2-methyl-cyclohexyl acetate 159.07
    tetrabutyl urea 128.2
    diisobutyl methanol 148.37
    2-phenylethanol 230.86
    styrene 166.07
    dioctyl adipate 146.25
    dimethyl sulfate 101.2
    ethyl butyrate 153.04
    methyl lactate 137.73
    butyl lactate 155.05
    diethyl carbonate 118.95
    propanediol butyl ether 321.35
    triethyl orthoformate 126.23
    p-tert-butyltoluene 120.38
    methyl 4-tert-butylbenzoate 199.11
    morpholine 535.53
    tert-butylamine 428.83
    n-dodecanol 126.65
    dimethoxymethane 184.78
    ethylene carbonate 171.75
    cyrene 178.76
    2-ethoxyethyl acetate 173.22
    2-ethylhexyl acetate 167.89
    1,2,4-trichlorobenzene 243.23
    4-methylpyridine 391.63
    dibutyl ether 181.93
    2,6-dimethyl-4-heptanol 148.37
    DEF 216.4
    dimethyl isosorbide 288.44
    tetrachloroethylene 315.24
    eugenol 208.32
    triacetin 211.64
    span 80 276.67
    1,4-butanediol 168.54
    1,1-dichloroethane 452.63
    2-methyl-1-pentanol 262.37
    methyl formate 135.28
    2-methyl-1-butanol 343.09
    n-decane 57.45
    butyronitrile 335.07
    3,7-dimethyl-1-octanol 234.86
    1-chlorooctane 148.99
    1-chlorotetradecane 65.21
    n-nonane 60.16
    undecane 44.54
    tert-butylcyclohexane 74.35
    cyclooctane 42.33
    cyclopentanol 372.26
    tetrahydropyran 424.75
    tert-amyl methyl ether 230.3
    2,5,8-trioxanonane 313.35
    1-hexene 238.05
    2-isopropoxyethanol 224.85
    2,2,2-trifluoroethanol 104.34
    methyl butyrate 161.41

    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