3-Hydroxy-3-methyl-2,4-nonanedione

Overview IFRA Request a quote

  • Identifiers

    CAS number
    544409-58-7

    Molecular formula
    C10H18O3

    SMILES
    CCCCCC(=O)C(C)(C(=O)C)O

  • Odor profile

    Fragrance
    Buttery 50.3%
    Sweet 46.44%
    Creamy 42.65%
    Earthy 40.63%
    Fatty 34.26%
    Caramellic 33.52%
    Milky 32.67%
    Nutty 31.08%
    Dairy 29.44%
    Lactonic 28.57%

     

    Flavor
    Fruity 57.31%
    Sweet 47.7%
    Creamy 43.38%
    Buttery 37.9%
    Butter 34.69%
    Caramel 33.45%
    Oily 31.41%
    Cheese 29.95%
    Fatty 28.61%
    Berry 26.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.64 (weak base)

    Molecular weight
    186.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 98.94 ˚C est.

  • Synonyms

    • 3-hydroxy-3-methyl-2,4-nonanedione
    • Lactadione
    • 544409-58-7
    • Fema No. 4687
    • UNII-KR08256859
    • KR08256859
    • 3-hydroxy-3-methylnonane-2,4-dione
    • 2,4-Nonanedione, 3-hydroxy-3-methyl-, (3R)-
    • 2,4-Nonanedione, 3-hydroxy-3-methyl-, (3S)-
    • 2,4-Nonanedione, 3-hydroxy-3-methyl-
    • SCHEMBL2871597

  • Applications

    3-Hydroxy-3-methyl-2,4-nonanedione (CAS 544409-58-7) is used as a fragrance ingredient and potential fixative in perfumery and cosmetic formulations; it may also function as a flavor/aroma intermediate in flavoring research and product development; in industrial manufacturing it is employed as a specialty intermediate for organic synthesis; in the polymers/plastics and coatings/inks sectors it can serve as a building block or formulation additive for advanced materials. These roles depend on regional regulations, formulation constraints, and purity levels.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2823.82
    methanol 4352.93
    isopropanol 2639.72
    water 6.18
    ethyl acetate 2366.28
    n-propanol 2269.33
    acetone 3210.01
    n-butanol 1958.31
    acetonitrile 1958.68
    DMF 3635.18
    toluene 543.64
    isobutanol 1927.26
    1,4-dioxane 3434.51
    methyl acetate 1904.29
    THF 3001.41
    2-butanone 2136.12
    n-pentanol 1321.5
    sec-butanol 2252.53
    n-hexane 124.95
    ethylene glycol 566.5
    NMP 2094.88
    cyclohexane 266.76
    DMSO 2853.99
    n-butyl acetate 1234.91
    n-octanol 458.67
    chloroform 2614.19
    n-propyl acetate 1091.1
    acetic acid 2632.19
    dichloromethane 2057.57
    cyclohexanone 2607.27
    propylene glycol 727.33
    isopropyl acetate 1408.62
    DMAc 2208.28
    2-ethoxyethanol 1797.94
    isopentanol 1930.5
    n-heptane 43.21
    ethyl formate 1333.72
    1,2-dichloroethane 1820.4
    n-hexanol 1216.13
    2-methoxyethanol 3201.19
    isobutyl acetate 609.86
    tetrachloromethane 511.28
    n-pentyl acetate 693.3
    transcutol 4105.02
    n-heptanol 457.72
    ethylbenzene 393.52
    MIBK 1012.56
    2-propoxyethanol 1637.55
    tert-butanol 4278.07
    MTBE 3048.89
    2-butoxyethanol 844.63
    propionic acid 1617.85
    o-xylene 469.09
    formic acid 1355.09
    diethyl ether 1953.85
    m-xylene 416.63
    p-xylene 536.63
    chlorobenzene 850.09
    dimethyl carbonate 471.52
    n-octane 26.26
    formamide 2174.52
    cyclopentanone 2460.83
    2-pentanone 1777.46
    anisole 896.63
    cyclopentyl methyl ether 1479.55
    gamma-butyrolactone 2689.25
    1-methoxy-2-propanol 2016.3
    pyridine 1718.4
    3-pentanone 1132.82
    furfural 1948.57
    n-dodecane 22.66
    diethylene glycol 1268.65
    diisopropyl ether 531.07
    tert-amyl alcohol 3310.49
    acetylacetone 1831.81
    n-hexadecane 26.89
    acetophenone 790.11
    methyl propionate 1337.87
    isopentyl acetate 1146.11
    trichloroethylene 3091.21
    n-nonanol 363.68
    cyclohexanol 1895.17
    benzyl alcohol 799.18
    2-ethylhexanol 567.84
    isooctanol 384.2
    dipropyl ether 435.81
    1,2-dichlorobenzene 778.7
    ethyl lactate 398.58
    propylene carbonate 1363.61
    n-methylformamide 2124.22
    2-pentanol 1499.71
    n-pentane 115.3
    1-propoxy-2-propanol 1017.33
    1-methoxy-2-propyl acetate 1042.68
    2-(2-methoxypropoxy) propanol 673.65
    mesitylene 290.16
    ε-caprolactone 2284.67
    p-cymene 199.7
    epichlorohydrin 2598.15
    1,1,1-trichloroethane 1882.99
    2-aminoethanol 1193.26
    morpholine-4-carbaldehyde 2452.43
    sulfolane 2538.84
    2,2,4-trimethylpentane 102.52
    2-methyltetrahydrofuran 2536.51
    n-hexyl acetate 946.09
    isooctane 73.93
    2-(2-butoxyethoxy)ethanol 1045.1
    sec-butyl acetate 798.51
    tert-butyl acetate 1357.19
    decalin 131.38
    glycerin 930.26
    diglyme 1878.4
    acrylic acid 1190.0
    isopropyl myristate 263.78
    n-butyric acid 2420.12
    acetyl acetate 1182.59
    di(2-ethylhexyl) phthalate 259.04
    ethyl propionate 863.7
    nitromethane 4046.59
    1,2-diethoxyethane 1189.77
    benzonitrile 983.69
    trioctyl phosphate 187.66
    1-bromopropane 951.29
    gamma-valerolactone 2955.66
    n-decanol 235.52
    triethyl phosphate 273.16
    4-methyl-2-pentanol 719.42
    propionitrile 1471.79
    vinylene carbonate 1195.54
    1,1,2-trichlorotrifluoroethane 1722.19
    DMS 653.36
    cumene 270.44
    2-octanol 356.87
    2-hexanone 1018.98
    octyl acetate 337.15
    limonene 356.09
    1,2-dimethoxyethane 2675.96
    ethyl orthosilicate 286.31
    tributyl phosphate 264.49
    diacetone alcohol 1490.45
    N,N-dimethylaniline 569.87
    acrylonitrile 1570.63
    aniline 1000.21
    1,3-propanediol 1928.67
    bromobenzene 792.51
    dibromomethane 1381.0
    1,1,2,2-tetrachloroethane 2778.17
    2-methyl-cyclohexyl acetate 496.26
    tetrabutyl urea 307.27
    diisobutyl methanol 325.02
    2-phenylethanol 681.19
    styrene 489.3
    dioctyl adipate 363.87
    dimethyl sulfate 801.51
    ethyl butyrate 662.84
    methyl lactate 560.73
    butyl lactate 513.43
    diethyl carbonate 441.47
    propanediol butyl ether 804.22
    triethyl orthoformate 422.49
    p-tert-butyltoluene 205.82
    methyl 4-tert-butylbenzoate 568.92
    morpholine 4138.99
    tert-butylamine 2382.22
    n-dodecanol 165.24
    dimethoxymethane 1643.11
    ethylene carbonate 1096.88
    cyrene 616.36
    2-ethoxyethyl acetate 887.83
    2-ethylhexyl acetate 808.81
    1,2,4-trichlorobenzene 884.18
    4-methylpyridine 1803.66
    dibutyl ether 456.56
    2,6-dimethyl-4-heptanol 325.02
    DEF 2014.47
    dimethyl isosorbide 1037.76
    tetrachloroethylene 1905.47
    eugenol 546.19
    triacetin 629.01
    span 80 553.8
    1,4-butanediol 715.99
    1,1-dichloroethane 1958.66
    2-methyl-1-pentanol 1267.13
    methyl formate 1546.56
    2-methyl-1-butanol 1855.57
    n-decane 42.9
    butyronitrile 1539.11
    3,7-dimethyl-1-octanol 464.81
    1-chlorooctane 248.74
    1-chlorotetradecane 79.11
    n-nonane 40.67
    undecane 29.85
    tert-butylcyclohexane 116.38
    cyclooctane 62.17
    cyclopentanol 1618.17
    tetrahydropyran 2932.63
    tert-amyl methyl ether 1688.37
    2,5,8-trioxanonane 1090.84
    1-hexene 507.7
    2-isopropoxyethanol 1171.77
    2,2,2-trifluoroethanol 842.64
    methyl butyrate 1309.31

    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