4,6-Dimethyloctan-3,5-dione

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C10H18O2

    SMILES
    CCCC(=O)C(C)C(=O)C(C)C

    Retention indicies (RI)

    • Carbowax: 1597.0

  • Odor profile

    Fruity 85.82%
    Herbal 48.04%
    Ketonic 37.13%
    Caramellic 29.57%
    Berry 28.51%
    Cheesy 27.13%
    Mint 26.48%
    Floral 26.39%
    Fresh 24.66%
    Tropical 23.6%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    216°C

    Flash point est.
    83.28 ˚C

  • Synonyms

    • 4,6-Dimethyloctan-3,5-dione
    • SCHEMBL16341856
    • HMICEBPJFQKUJR-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2755.0
    methanol 3371.92
    isopropanol 3283.62
    water 9.7
    ethyl acetate 1589.15
    n-propanol 2666.71
    acetone 2291.17
    n-butanol 2640.41
    acetonitrile 2541.01
    DMF 2338.12
    toluene 1145.02
    isobutanol 2492.03
    1,4-dioxane 2924.28
    methyl acetate 1682.52
    THF 2914.68
    2-butanone 1975.98
    n-pentanol 1659.74
    sec-butanol 2833.99
    n-hexane 557.75
    ethylene glycol 421.1
    NMP 2095.76
    cyclohexane 820.78
    DMSO 1277.29
    n-butyl acetate 1596.79
    n-octanol 950.69
    chloroform 6402.03
    n-propyl acetate 996.46
    acetic acid 2150.23
    dichloromethane 4093.31
    cyclohexanone 3229.51
    propylene glycol 653.06
    isopropyl acetate 1113.33
    DMAc 1819.39
    2-ethoxyethanol 1409.51
    isopentanol 2287.08
    n-heptane 218.83
    ethyl formate 1481.67
    1,2-dichloroethane 2413.49
    n-hexanol 1866.69
    2-methoxyethanol 2258.19
    isobutyl acetate 699.72
    tetrachloromethane 1422.26
    n-pentyl acetate 1020.49
    transcutol 2384.71
    n-heptanol 877.01
    ethylbenzene 763.49
    MIBK 1033.41
    2-propoxyethanol 1846.05
    tert-butanol 3332.18
    MTBE 2597.65
    2-butoxyethanol 1094.17
    propionic acid 1657.25
    o-xylene 807.6
    formic acid 666.08
    diethyl ether 1914.72
    m-xylene 790.19
    p-xylene 1062.37
    chlorobenzene 1710.45
    dimethyl carbonate 412.52
    n-octane 124.35
    formamide 742.94
    cyclopentanone 2548.6
    2-pentanone 1577.39
    anisole 1006.0
    cyclopentyl methyl ether 1633.07
    gamma-butyrolactone 2715.85
    1-methoxy-2-propanol 1507.02
    pyridine 2483.66
    3-pentanone 1163.06
    furfural 2222.89
    n-dodecane 84.48
    diethylene glycol 1075.49
    diisopropyl ether 623.32
    tert-amyl alcohol 2831.97
    acetylacetone 1260.71
    n-hexadecane 97.12
    acetophenone 927.54
    methyl propionate 1010.87
    isopentyl acetate 1418.07
    trichloroethylene 4570.74
    n-nonanol 732.39
    cyclohexanol 2573.25
    benzyl alcohol 980.95
    2-ethylhexanol 998.24
    isooctanol 675.7
    dipropyl ether 778.42
    1,2-dichlorobenzene 1324.98
    ethyl lactate 451.54
    propylene carbonate 1628.26
    n-methylformamide 1481.59
    2-pentanol 1901.3
    n-pentane 446.87
    1-propoxy-2-propanol 1258.12
    1-methoxy-2-propyl acetate 947.23
    2-(2-methoxypropoxy) propanol 613.42
    mesitylene 515.74
    ε-caprolactone 2649.18
    p-cymene 427.04
    epichlorohydrin 2687.13
    1,1,1-trichloroethane 3236.92
    2-aminoethanol 1004.56
    morpholine-4-carbaldehyde 1970.88
    sulfolane 2235.15
    2,2,4-trimethylpentane 247.18
    2-methyltetrahydrofuran 2842.37
    n-hexyl acetate 1386.0
    isooctane 165.85
    2-(2-butoxyethoxy)ethanol 843.49
    sec-butyl acetate 738.21
    tert-butyl acetate 1092.2
    decalin 307.19
    glycerin 689.98
    diglyme 1607.62
    acrylic acid 1212.1
    isopropyl myristate 392.1
    n-butyric acid 2446.88
    acetyl acetate 982.04
    di(2-ethylhexyl) phthalate 355.41
    ethyl propionate 791.3
    nitromethane 2358.14
    1,2-diethoxyethane 1106.73
    benzonitrile 1628.69
    trioctyl phosphate 286.16
    1-bromopropane 1891.36
    gamma-valerolactone 2937.7
    n-decanol 463.44
    triethyl phosphate 352.15
    4-methyl-2-pentanol 911.37
    propionitrile 2224.62
    vinylene carbonate 1530.2
    1,1,2-trichlorotrifluoroethane 1726.42
    DMS 689.86
    cumene 495.37
    2-octanol 733.97
    2-hexanone 1223.9
    octyl acetate 523.63
    limonene 659.74
    1,2-dimethoxyethane 2176.75
    ethyl orthosilicate 371.11
    tributyl phosphate 348.35
    diacetone alcohol 1070.36
    N,N-dimethylaniline 675.9
    acrylonitrile 2149.06
    aniline 1262.22
    1,3-propanediol 1628.22
    bromobenzene 1778.08
    dibromomethane 3088.56
    1,1,2,2-tetrachloroethane 4181.44
    2-methyl-cyclohexyl acetate 643.01
    tetrabutyl urea 417.66
    diisobutyl methanol 498.44
    2-phenylethanol 974.92
    styrene 896.95
    dioctyl adipate 484.16
    dimethyl sulfate 615.38
    ethyl butyrate 811.63
    methyl lactate 503.04
    butyl lactate 650.11
    diethyl carbonate 553.85
    propanediol butyl ether 895.53
    triethyl orthoformate 567.22
    p-tert-butyltoluene 408.46
    methyl 4-tert-butylbenzoate 659.02
    morpholine 3303.91
    tert-butylamine 2297.31
    n-dodecanol 316.76
    dimethoxymethane 1164.67
    ethylene carbonate 1421.08
    cyrene 618.53
    2-ethoxyethyl acetate 952.62
    2-ethylhexyl acetate 1059.56
    1,2,4-trichlorobenzene 1483.97
    4-methylpyridine 2761.03
    dibutyl ether 868.74
    2,6-dimethyl-4-heptanol 498.44
    DEF 1722.93
    dimethyl isosorbide 978.02
    tetrachloroethylene 2938.08
    eugenol 647.34
    triacetin 711.7
    span 80 612.59
    1,4-butanediol 757.18
    1,1-dichloroethane 3430.18
    2-methyl-1-pentanol 1555.35
    methyl formate 1177.49
    2-methyl-1-butanol 2243.72
    n-decane 162.75
    butyronitrile 2505.7
    3,7-dimethyl-1-octanol 718.46
    1-chlorooctane 616.48
    1-chlorotetradecane 205.26
    n-nonane 178.01
    undecane 111.51
    tert-butylcyclohexane 285.02
    cyclooctane 211.06
    cyclopentanol 2344.95
    tetrahydropyran 3329.36
    tert-amyl methyl ether 1653.15
    2,5,8-trioxanonane 881.7
    1-hexene 1310.57
    2-isopropoxyethanol 1012.82
    2,2,2-trifluoroethanol 718.36
    methyl butyrate 1294.7

    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

Botanical

Name CAS Botanical Proportion
Helichrysum italicum (France-Corsica) 8025-95-8 Helichyrsum italicum (Roth) G. Don ssp.italicum, fam. Asteraceae (Compos.) 1.8%