2,4-Octanedione

Overview IFRA Request a quote

  • Identifiers

    CAS number
    14090-87-0

    Molecular formula
    C8H14O2

    SMILES
    CCCCC(=O)CC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 77.84%
    Caramellic 52.88%
    Herbal 47.41%
    Green 45.23%
    Sweet 43.87%
    Cheesy 41.97%
    Ketonic 39.83%
    Earthy 39.66%
    Buttery 34.1%
    Burnt 33.98%

     

    Flavor
    Fruity 45.39%
    Sweet 41.68%
    Cheese 36.56%
    Ethereal 30.43%
    Fatty 29.65%
    Earthy 28.17%
    Herbal 28.01%
    Mushroom 26.99%
    Butter 26.54%
    Spicy 25.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.58 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point

    • 75.56 ˚C est.

  • Synonyms

    • 2,4-Octanedione
    • Octane-2,4-dione
    • Valerylacetone
    • K72DM9EH73
    • DTXSID30161491
    • RefChem:82633
    • DTXCID3083982
    • GJYXGIIWJFZCLN-UHFFFAOYSA-N
    • 14090-87-0
    • 2,4-octanedion
    • EINECS 237-937-1
    • 2 pound not4-Octanedione
    • UNII-K72DM9EH73
    • SCHEMBL93265
    • 2,4-Octanedione, AldrichCPR
    • orb2939516
    • SCHEMBL25178980
    • MFCD00015259
    • AKOS004115497
    • HY-W127848
    • AS-56682
    • CS-0186016
    • NS00024569
    • 14090-87-0

  • Applications

    2,4-Octanedione (CAS 14090-87-0) is primarily used as an intermediate in organic synthesis, serving as a building block for aroma and fragrance compounds and as a precursor for other fine chemicals. It may act as an odorant or fragrance ingredient in perfumery, contributing to scent profiles. In industrial manufacturing, it can function as a solvent or processing aid and is used in formulation chemistries for coatings, inks, or adhesives. It also serves as a chemical scaffold in the development of specialty polymers and resins. The use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1992.29
    methanol 3290.06
    isopropanol 1621.12
    water 20.17
    ethyl acetate 538.17
    n-propanol 1461.91
    acetone 1757.17
    n-butanol 1215.13
    acetonitrile 876.04
    DMF 2211.98
    toluene 234.56
    isobutanol 1038.34
    1,4-dioxane 1248.77
    methyl acetate 668.51
    THF 1720.23
    2-butanone 939.93
    n-pentanol 675.98
    sec-butanol 1128.45
    n-hexane 182.45
    ethylene glycol 810.96
    NMP 1611.98
    cyclohexane 180.3
    DMSO 1646.78
    n-butyl acetate 340.2
    n-octanol 310.13
    chloroform 1741.56
    n-propyl acetate 274.97
    acetic acid 2000.8
    dichloromethane 1023.54
    cyclohexanone 1296.84
    propylene glycol 1146.14
    isopropyl acetate 347.7
    DMAc 1504.58
    2-ethoxyethanol 722.31
    isopentanol 899.78
    n-heptane 53.83
    ethyl formate 464.32
    1,2-dichloroethane 644.38
    n-hexanol 783.22
    2-methoxyethanol 1732.17
    isobutyl acetate 200.31
    tetrachloromethane 284.59
    n-pentyl acetate 219.71
    transcutol 1805.87
    n-heptanol 236.05
    ethylbenzene 153.87
    MIBK 389.06
    2-propoxyethanol 993.01
    tert-butanol 1606.12
    MTBE 728.03
    2-butoxyethanol 395.78
    propionic acid 1234.7
    o-xylene 179.52
    formic acid 786.85
    diethyl ether 602.16
    m-xylene 195.28
    p-xylene 205.11
    chlorobenzene 380.94
    dimethyl carbonate 203.31
    n-octane 20.01
    formamide 620.11
    cyclopentanone 1285.63
    2-pentanone 709.31
    anisole 328.95
    cyclopentyl methyl ether 708.03
    gamma-butyrolactone 1270.74
    1-methoxy-2-propanol 1214.86
    pyridine 743.9
    3-pentanone 459.22
    furfural 947.22
    n-dodecane 18.26
    diethylene glycol 887.93
    diisopropyl ether 160.29
    tert-amyl alcohol 1054.74
    acetylacetone 672.96
    n-hexadecane 20.3
    acetophenone 315.22
    methyl propionate 479.19
    isopentyl acetate 330.96
    trichloroethylene 1242.39
    n-nonanol 242.15
    cyclohexanol 1032.08
    benzyl alcohol 391.5
    2-ethylhexanol 306.66
    isooctanol 177.42
    dipropyl ether 239.64
    1,2-dichlorobenzene 335.01
    ethyl lactate 225.96
    propylene carbonate 621.89
    n-methylformamide 1007.47
    2-pentanol 714.01
    n-pentane 127.06
    1-propoxy-2-propanol 594.03
    1-methoxy-2-propyl acetate 376.96
    2-(2-methoxypropoxy) propanol 426.12
    mesitylene 128.51
    ε-caprolactone 888.99
    p-cymene 95.53
    epichlorohydrin 1044.02
    1,1,1-trichloroethane 788.57
    2-aminoethanol 1190.04
    morpholine-4-carbaldehyde 1243.83
    sulfolane 1436.17
    2,2,4-trimethylpentane 55.55
    2-methyltetrahydrofuran 1140.09
    n-hexyl acetate 455.85
    isooctane 39.86
    2-(2-butoxyethoxy)ethanol 584.25
    sec-butyl acetate 206.84
    tert-butyl acetate 393.91
    decalin 75.8
    glycerin 1158.56
    diglyme 860.52
    acrylic acid 1075.79
    isopropyl myristate 142.93
    n-butyric acid 1198.63
    acetyl acetate 362.3
    di(2-ethylhexyl) phthalate 175.52
    ethyl propionate 257.0
    nitromethane 1615.45
    1,2-diethoxyethane 354.98
    benzonitrile 450.69
    trioctyl phosphate 126.37
    1-bromopropane 487.58
    gamma-valerolactone 1381.67
    n-decanol 166.51
    triethyl phosphate 122.72
    4-methyl-2-pentanol 332.49
    propionitrile 681.35
    vinylene carbonate 549.64
    1,1,2-trichlorotrifluoroethane 1115.27
    DMS 312.5
    cumene 115.48
    2-octanol 167.82
    2-hexanone 423.88
    octyl acetate 193.93
    limonene 172.32
    1,2-dimethoxyethane 1059.47
    ethyl orthosilicate 123.24
    tributyl phosphate 153.89
    diacetone alcohol 638.96
    N,N-dimethylaniline 234.5
    acrylonitrile 740.0
    aniline 469.35
    1,3-propanediol 1286.92
    bromobenzene 337.52
    dibromomethane 760.19
    1,1,2,2-tetrachloroethane 1211.61
    2-methyl-cyclohexyl acetate 222.63
    tetrabutyl urea 203.55
    diisobutyl methanol 159.88
    2-phenylethanol 341.96
    styrene 193.11
    dioctyl adipate 219.75
    dimethyl sulfate 373.5
    ethyl butyrate 200.66
    methyl lactate 413.76
    butyl lactate 256.99
    diethyl carbonate 147.92
    propanediol butyl ether 606.46
    triethyl orthoformate 161.77
    p-tert-butyltoluene 97.75
    methyl 4-tert-butylbenzoate 285.18
    morpholine 1576.71
    tert-butylamine 880.57
    n-dodecanol 120.43
    dimethoxymethane 690.01
    ethylene carbonate 461.09
    cyrene 378.03
    2-ethoxyethyl acetate 293.59
    2-ethylhexyl acetate 231.39
    1,2,4-trichlorobenzene 428.62
    4-methylpyridine 773.07
    dibutyl ether 235.92
    2,6-dimethyl-4-heptanol 159.88
    DEF 786.09
    dimethyl isosorbide 527.87
    tetrachloroethylene 809.64
    eugenol 301.98
    triacetin 380.0
    span 80 427.94
    1,4-butanediol 487.51
    1,1-dichloroethane 881.68
    2-methyl-1-pentanol 539.82
    methyl formate 647.41
    2-methyl-1-butanol 860.34
    n-decane 32.46
    butyronitrile 697.47
    3,7-dimethyl-1-octanol 292.13
    1-chlorooctane 149.78
    1-chlorotetradecane 52.94
    n-nonane 34.57
    undecane 23.08
    tert-butylcyclohexane 74.81
    cyclooctane 44.91
    cyclopentanol 1161.15
    tetrahydropyran 1245.92
    tert-amyl methyl ether 507.68
    2,5,8-trioxanonane 580.87
    1-hexene 451.61
    2-isopropoxyethanol 464.71
    2,2,2-trifluoroethanol 540.68
    methyl butyrate 386.87

    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