2,6-Dimethyl-7-octen-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    51117-36-3

    Molecular formula
    C10H18O

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 67.24%
    Herbal 59.43%
    Fresh 49.42%
    Citrus 45.71%
    Floral 41.7%
    Green 37.67%
    Woody 33.36%
    Lavender 31.25%
    Sweet 29.25%
    Mint 28.93%

     

    Flavor
    Fruity 32.24%
    Green 31.13%
    Floral 27.63%
    Herbal 27.52%
    Tropical 24.27%
    Fresh 22.9%
    Citrus 21.36%
    Herb 19.95%
    Spicy 19.93%
    Oily 19.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.56 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    191°C

    Flash point

    • 66.37 ˚C est.

  • Synonyms

    • 2,6-Dimethyl-7-octen-3-one
    • 2,6-dimethyloct-7-en-3-one
    • SCHEMBL17249387
    • YKQHXMHPGBDHLV-UHFFFAOYSA-
    • DTXSID301311857
    • 51117-36-3
    • InChI=1/C10H18O/c1-5-9(4)6-7-10(11)8(2)3/h5,8-9H,1,6-7H2,2-4H3
    • 51117-36-3

  • Applications

    Chemical name: 2,6-Dimethyl-7-octen-3-one. CAS number: 51117-36-3 is used primarily as a fragrance intermediate and odorant in perfumery, contributing green/woody notes and serving as a building block for more complex aroma compounds. It may be employed in cosmetics/personal care formulations for fragrance, in household products such as air fresheners, and as an industrial manufacturing intermediate in fragrance synthesis; it can also function as an odorant additive in coatings and inks. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 805.44
    methanol 639.25
    isopropanol 757.9
    water 1.16
    ethyl acetate 568.0
    n-propanol 643.22
    acetone 445.55
    n-butanol 731.08
    acetonitrile 520.48
    DMF 373.96
    toluene 365.86
    isobutanol 533.45
    1,4-dioxane 971.17
    methyl acetate 455.08
    THF 989.62
    2-butanone 550.51
    n-pentanol 547.62
    sec-butanol 740.46
    n-hexane 281.05
    ethylene glycol 66.21
    NMP 398.6
    cyclohexane 269.99
    DMSO 272.83
    n-butyl acetate 824.68
    n-octanol 359.1
    chloroform 1710.39
    n-propyl acetate 411.35
    acetic acid 429.03
    dichloromethane 1136.34
    cyclohexanone 797.71
    propylene glycol 141.07
    isopropyl acetate 379.22
    DMAc 442.24
    2-ethoxyethanol 417.48
    isopentanol 714.07
    n-heptane 165.34
    ethyl formate 334.65
    1,2-dichloroethane 568.59
    n-hexanol 815.84
    2-methoxyethanol 515.32
    isobutyl acetate 302.7
    tetrachloromethane 360.84
    n-pentyl acetate 428.18
    transcutol 1490.43
    n-heptanol 359.23
    ethylbenzene 286.24
    MIBK 313.4
    2-propoxyethanol 633.97
    tert-butanol 955.34
    MTBE 791.5
    2-butoxyethanol 459.57
    propionic acid 373.32
    o-xylene 266.08
    formic acid 103.28
    diethyl ether 637.82
    m-xylene 248.28
    p-xylene 409.75
    chlorobenzene 469.95
    dimethyl carbonate 80.84
    n-octane 63.99
    formamide 131.22
    cyclopentanone 609.62
    2-pentanone 435.22
    anisole 409.45
    cyclopentyl methyl ether 454.3
    gamma-butyrolactone 575.1
    1-methoxy-2-propanol 425.35
    pyridine 845.64
    3-pentanone 289.33
    furfural 643.77
    n-dodecane 42.04
    diethylene glycol 285.77
    diisopropyl ether 223.7
    tert-amyl alcohol 829.78
    acetylacetone 353.28
    n-hexadecane 47.22
    acetophenone 362.26
    methyl propionate 257.42
    isopentyl acetate 753.45
    trichloroethylene 1154.71
    n-nonanol 313.4
    cyclohexanol 584.37
    benzyl alcohol 342.74
    2-ethylhexanol 561.91
    isooctanol 303.93
    dipropyl ether 477.58
    1,2-dichlorobenzene 429.66
    ethyl lactate 154.76
    propylene carbonate 440.19
    n-methylformamide 206.5
    2-pentanol 550.29
    n-pentane 182.78
    1-propoxy-2-propanol 563.86
    1-methoxy-2-propyl acetate 430.63
    2-(2-methoxypropoxy) propanol 420.66
    mesitylene 174.02
    ε-caprolactone 735.68
    p-cymene 229.39
    epichlorohydrin 726.5
    1,1,1-trichloroethane 846.02
    2-aminoethanol 198.5
    morpholine-4-carbaldehyde 552.09
    sulfolane 469.91
    2,2,4-trimethylpentane 100.51
    2-methyltetrahydrofuran 940.81
    n-hexyl acetate 553.22
    isooctane 77.64
    2-(2-butoxyethoxy)ethanol 555.82
    sec-butyl acetate 333.89
    tert-butyl acetate 391.81
    decalin 136.27
    glycerin 147.38
    diglyme 887.78
    acrylic acid 256.84
    isopropyl myristate 214.33
    n-butyric acid 715.73
    acetyl acetate 297.86
    di(2-ethylhexyl) phthalate 203.42
    ethyl propionate 312.24
    nitromethane 423.17
    1,2-diethoxyethane 663.24
    benzonitrile 565.46
    trioctyl phosphate 137.7
    1-bromopropane 592.9
    gamma-valerolactone 785.43
    n-decanol 218.04
    triethyl phosphate 188.79
    4-methyl-2-pentanol 335.58
    propionitrile 518.73
    vinylene carbonate 402.77
    1,1,2-trichlorotrifluoroethane 451.07
    DMS 258.4
    cumene 217.84
    2-octanol 274.97
    2-hexanone 477.67
    octyl acetate 252.55
    limonene 333.32
    1,2-dimethoxyethane 774.06
    ethyl orthosilicate 209.74
    tributyl phosphate 180.56
    diacetone alcohol 369.42
    N,N-dimethylaniline 276.26
    acrylonitrile 473.82
    aniline 390.32
    1,3-propanediol 342.3
    bromobenzene 502.94
    dibromomethane 859.42
    1,1,2,2-tetrachloroethane 992.99
    2-methyl-cyclohexyl acetate 389.37
    tetrabutyl urea 197.1
    diisobutyl methanol 294.23
    2-phenylethanol 420.7
    styrene 337.7
    dioctyl adipate 282.38
    dimethyl sulfate 111.42
    ethyl butyrate 504.09
    methyl lactate 123.37
    butyl lactate 288.89
    diethyl carbonate 313.77
    propanediol butyl ether 373.67
    triethyl orthoformate 349.43
    p-tert-butyltoluene 215.84
    methyl 4-tert-butylbenzoate 319.78
    morpholine 1076.75
    tert-butylamine 754.76
    n-dodecanol 162.68
    dimethoxymethane 224.63
    ethylene carbonate 351.07
    cyrene 272.87
    2-ethoxyethyl acetate 442.47
    2-ethylhexyl acetate 606.5
    1,2,4-trichlorobenzene 489.01
    4-methylpyridine 858.87
    dibutyl ether 458.51
    2,6-dimethyl-4-heptanol 294.23
    DEF 388.23
    dimethyl isosorbide 555.97
    tetrachloroethylene 686.11
    eugenol 323.6
    triacetin 380.42
    span 80 411.45
    1,4-butanediol 150.59
    1,1-dichloroethane 821.62
    2-methyl-1-pentanol 551.78
    methyl formate 137.56
    2-methyl-1-butanol 621.54
    n-decane 78.41
    butyronitrile 731.03
    3,7-dimethyl-1-octanol 385.22
    1-chlorooctane 242.63
    1-chlorotetradecane 96.33
    n-nonane 80.51
    undecane 54.58
    tert-butylcyclohexane 137.78
    cyclooctane 87.03
    cyclopentanol 452.79
    tetrahydropyran 1102.8
    tert-amyl methyl ether 506.75
    2,5,8-trioxanonane 572.48
    1-hexene 634.61
    2-isopropoxyethanol 356.54
    2,2,2-trifluoroethanol 118.84
    methyl butyrate 455.61

    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