2,3-Octanedione

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    585-25-1

    Molecular formula
    C8H14O2

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

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Sweet 78.6%
    Fatty 75.27%
    Cheesy 65.52%
    Creamy 63.28%
    Buttery 62.66%
    Caramellic 56.76%
    Fruity 55.98%
    Oily 52.87%
    Dairy 48.36%
    Herbal 48.3%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 169.00 to 170.00 °C. @ 760.00 mm Hg

    Flash point est.
    67.14 ˚C

    Solubility expt.

    • Soluble in non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • Octane-2,3-dione
    • 2,3-OCTANEDIONE
    • 585-25-1
    • 2,3-Octandione
    • 2,3-Dioxooctane
    • UNII-267Z8UAR9Q
    • 2,3-octadione
    • 267Z8UAR9Q
    • Methyl pentyl diketone
    • NSC-7642
    • EINECS 209-552-9
    • FEMA NO. 4060
    • 2,3-OCTANEDIONE [FHFI]
    • DTXSID60207215
    • NSC 7642
    • Octanedione
    • 2,3-octandion
    • 2,3-octane dione
    • NSC7642
    • SCHEMBL146633
    • CHEBI:89053
    • DTXCID60129706
    • AKOS006292900
    • BS-52954
    • NS00042570
    • F72021
    • Q27161226

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2412.97
    methanol 3784.29
    isopropanol 1831.22
    water 3.83
    ethyl acetate 1986.5
    n-propanol 1762.59
    acetone 4066.07
    n-butanol 1545.11
    acetonitrile 2637.08
    DMF 3459.01
    toluene 601.79
    isobutanol 1425.35
    1,4-dioxane 2276.96
    methyl acetate 1720.45
    THF 2483.19
    2-butanone 2220.17
    n-pentanol 1080.67
    sec-butanol 1527.94
    n-hexane 207.0
    ethylene glycol 489.98
    NMP 2692.66
    cyclohexane 293.57
    DMSO 3213.73
    n-butyl acetate 1564.54
    n-octanol 419.97
    chloroform 3468.15
    n-propyl acetate 1150.17
    acetic acid 2860.78
    dichloromethane 2992.94
    cyclohexanone 3062.75
    propylene glycol 546.03
    isopropyl acetate 1082.98
    DMAc 1879.26
    2-ethoxyethanol 1235.04
    isopentanol 1490.36
    n-heptane 69.67
    ethyl formate 1410.61
    1,2-dichloroethane 2193.31
    n-hexanol 1042.38
    2-methoxyethanol 2168.15
    isobutyl acetate 631.62
    tetrachloromethane 657.09
    n-pentyl acetate 766.55
    transcutol 4649.56
    n-heptanol 390.43
    ethylbenzene 416.5
    MIBK 907.64
    2-propoxyethanol 1393.55
    tert-butanol 2365.56
    MTBE 1659.79
    2-butoxyethanol 727.85
    propionic acid 1768.1
    o-xylene 439.97
    formic acid 1155.75
    diethyl ether 1453.7
    m-xylene 436.87
    p-xylene 571.1
    chlorobenzene 1227.46
    dimethyl carbonate 391.2
    n-octane 32.25
    formamide 1651.34
    cyclopentanone 2779.24
    2-pentanone 1738.33
    anisole 851.31
    cyclopentyl methyl ether 1311.55
    gamma-butyrolactone 3021.67
    1-methoxy-2-propanol 1388.37
    pyridine 2295.65
    3-pentanone 1059.69
    furfural 2386.72
    n-dodecane 22.85
    diethylene glycol 1044.18
    diisopropyl ether 387.36
    tert-amyl alcohol 1822.65
    acetylacetone 1676.15
    n-hexadecane 27.59
    acetophenone 858.89
    methyl propionate 1136.56
    isopentyl acetate 1283.17
    trichloroethylene 4224.17
    n-nonanol 332.59
    cyclohexanol 1580.74
    benzyl alcohol 771.44
    2-ethylhexanol 590.86
    isooctanol 332.71
    dipropyl ether 502.51
    1,2-dichlorobenzene 1078.46
    ethyl lactate 376.35
    propylene carbonate 1526.71
    n-methylformamide 2047.35
    2-pentanol 1009.08
    n-pentane 139.27
    1-propoxy-2-propanol 975.55
    1-methoxy-2-propyl acetate 980.56
    2-(2-methoxypropoxy) propanol 679.04
    mesitylene 296.06
    ε-caprolactone 2394.8
    p-cymene 231.75
    epichlorohydrin 2739.16
    1,1,1-trichloroethane 2362.71
    2-aminoethanol 944.84
    morpholine-4-carbaldehyde 2186.91
    sulfolane 3085.84
    2,2,4-trimethylpentane 90.7
    2-methyltetrahydrofuran 2313.12
    n-hexyl acetate 1056.71
    isooctane 64.88
    2-(2-butoxyethoxy)ethanol 1024.6
    sec-butyl acetate 728.27
    tert-butyl acetate 1076.01
    decalin 140.1
    glycerin 703.11
    diglyme 1798.26
    acrylic acid 1494.34
    isopropyl myristate 282.83
    n-butyric acid 2383.55
    acetyl acetate 1054.45
    di(2-ethylhexyl) phthalate 291.6
    ethyl propionate 853.3
    nitromethane 4300.39
    1,2-diethoxyethane 1288.49
    benzonitrile 1300.39
    trioctyl phosphate 198.76
    1-bromopropane 1186.1
    gamma-valerolactone 3015.52
    n-decanol 215.38
    triethyl phosphate 281.12
    4-methyl-2-pentanol 518.33
    propionitrile 1632.59
    vinylene carbonate 1380.72
    1,1,2-trichlorotrifluoroethane 1939.69
    DMS 734.76
    cumene 268.11
    2-octanol 300.99
    2-hexanone 1229.06
    octyl acetate 381.33
    limonene 391.19
    1,2-dimethoxyethane 1957.49
    ethyl orthosilicate 294.14
    tributyl phosphate 304.74
    diacetone alcohol 1143.23
    N,N-dimethylaniline 509.23
    acrylonitrile 2064.39
    aniline 1037.12
    1,3-propanediol 1306.53
    bromobenzene 1200.26
    dibromomethane 1971.01
    1,1,2,2-tetrachloroethane 3444.62
    2-methyl-cyclohexyl acetate 535.81
    tetrabutyl urea 359.27
    diisobutyl methanol 322.37
    2-phenylethanol 727.24
    styrene 593.09
    dioctyl adipate 439.99
    dimethyl sulfate 684.04
    ethyl butyrate 787.85
    methyl lactate 505.45
    butyl lactate 574.65
    diethyl carbonate 466.12
    propanediol butyl ether 803.94
    triethyl orthoformate 454.33
    p-tert-butyltoluene 217.88
    methyl 4-tert-butylbenzoate 545.27
    morpholine 2901.08
    tert-butylamine 1437.69
    n-dodecanol 150.62
    dimethoxymethane 1121.42
    ethylene carbonate 1150.95
    cyrene 580.62
    2-ethoxyethyl acetate 986.35
    2-ethylhexyl acetate 903.87
    1,2,4-trichlorobenzene 1209.68
    4-methylpyridine 2284.99
    dibutyl ether 578.23
    2,6-dimethyl-4-heptanol 322.37
    DEF 1933.51
    dimethyl isosorbide 1061.11
    tetrachloroethylene 2444.44
    eugenol 595.97
    triacetin 811.59
    span 80 613.65
    1,4-butanediol 528.31
    1,1-dichloroethane 2399.69
    2-methyl-1-pentanol 1031.8
    methyl formate 1411.32
    2-methyl-1-butanol 1350.08
    n-decane 45.7
    butyronitrile 1797.69
    3,7-dimethyl-1-octanol 460.35
    1-chlorooctane 279.91
    1-chlorotetradecane 84.67
    n-nonane 46.89
    undecane 30.99
    tert-butylcyclohexane 123.54
    cyclooctane 69.37
    cyclopentanol 1550.62
    tetrahydropyran 2404.35
    tert-amyl methyl ether 1038.1
    2,5,8-trioxanonane 1081.78
    1-hexene 770.51
    2-isopropoxyethanol 877.1
    2,2,2-trifluoroethanol 830.38
    methyl butyrate 1405.99

    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
Lemon balm (Slovak Republic) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.01%