3-Isopentyl-2,4-pentanedione

Overview IFRA Request a quote

  • Identifiers

    CAS number
    10225-31-7

    Molecular formula
    C10H18O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 77.61%
    Herbal 61.12%
    Woody 52.62%
    Mint 42.47%
    Ketonic 39.09%
    Floral 35.85%
    Dry 33.43%
    Spicy 32.23%
    Sweet 32.2%
    Earthy 31.41%

     

    Flavor
    Fruity 64.57%
    Berry 32.63%
    Tropical 31.61%
    Cheese 30.96%
    Herbal 28.99%
    Green 27.7%
    Oily 24.13%
    Sweet 23.96%
    Fruit 23.3%
    Animal 22.01%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.41 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point

    • 89.29 ˚C est.

  • Synonyms

    • 3-(3-methylbutyl)pentane-2,4-dione
    • 3-Isopentyl-2,4-pentanedione
    • 10225-31-7
    • 2,4-Pentanedione, 3-isopentyl-
    • 2,4-Pentanedione,3-(3-methylbutyl)-
    • SCHEMBL1311412
    • DTXSID80337003
    • 3-Isopentyl-2,4-pentanedione #
    • VHWDQUBHJZEUNV-UHFFFAOYSA-N
    • AKOS006241766
    • 2,4-Pentanedione, 3-(3-methylbutyl)-
    • 10225-31-7

  • Applications

    3-Isopentyl-2,4-pentanedione (CAS 10225-31-7) is used as an organic synthesis intermediate and as a chelating ligand for metal complexes, enabling catalytic and materials-processing applications. It is also considered a fragrance intermediate with potential use in perfumery and flavor formulations. In cosmetics and personal care, it may serve as a fragrance component or aroma carrier, while in industrial manufacturing it functions as an intermediate for further synthesis and for specialty formulations used in coatings and related chemistries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 409.76
    methanol 517.1
    isopropanol 393.52
    water 2.87
    ethyl acetate 263.07
    n-propanol 325.12
    acetone 441.07
    n-butanol 306.13
    acetonitrile 352.41
    DMF 464.27
    toluene 167.45
    isobutanol 256.32
    1,4-dioxane 876.16
    methyl acetate 276.26
    THF 1281.09
    2-butanone 277.38
    n-pentanol 181.68
    sec-butanol 303.68
    n-hexane 88.85
    ethylene glycol 88.3
    NMP 735.06
    cyclohexane 193.15
    DMSO 337.25
    n-butyl acetate 265.35
    n-octanol 179.45
    chloroform 1267.52
    n-propyl acetate 165.46
    acetic acid 482.78
    dichloromethane 848.78
    cyclohexanone 716.56
    propylene glycol 161.93
    isopropyl acetate 168.52
    DMAc 402.98
    2-ethoxyethanol 178.11
    isopentanol 251.4
    n-heptane 67.1
    ethyl formate 241.16
    1,2-dichloroethane 402.83
    n-hexanol 338.41
    2-methoxyethanol 380.87
    isobutyl acetate 128.69
    tetrachloromethane 224.26
    n-pentyl acetate 176.51
    transcutol 677.22
    n-heptanol 143.45
    ethylbenzene 121.85
    MIBK 156.07
    2-propoxyethanol 368.2
    tert-butanol 457.12
    MTBE 262.14
    2-butoxyethanol 195.59
    propionic acid 313.75
    o-xylene 143.7
    formic acid 140.76
    diethyl ether 243.03
    m-xylene 136.2
    p-xylene 187.85
    chlorobenzene 298.27
    dimethyl carbonate 86.22
    n-octane 25.73
    formamide 150.52
    cyclopentanone 728.13
    2-pentanone 231.91
    anisole 196.7
    cyclopentyl methyl ether 408.18
    gamma-butyrolactone 841.85
    1-methoxy-2-propanol 291.19
    pyridine 446.91
    3-pentanone 176.25
    furfural 613.99
    n-dodecane 21.35
    diethylene glycol 262.55
    diisopropyl ether 86.26
    tert-amyl alcohol 332.3
    acetylacetone 286.43
    n-hexadecane 24.45
    acetophenone 197.03
    methyl propionate 195.54
    isopentyl acetate 242.72
    trichloroethylene 810.33
    n-nonanol 149.53
    cyclohexanol 462.92
    benzyl alcohol 180.07
    2-ethylhexanol 196.82
    isooctanol 115.79
    dipropyl ether 183.32
    1,2-dichlorobenzene 287.42
    ethyl lactate 102.46
    propylene carbonate 478.41
    n-methylformamide 226.95
    2-pentanol 211.89
    n-pentane 70.96
    1-propoxy-2-propanol 275.07
    1-methoxy-2-propyl acetate 232.02
    2-(2-methoxypropoxy) propanol 230.45
    mesitylene 103.45
    ε-caprolactone 580.16
    p-cymene 106.4
    epichlorohydrin 661.04
    1,1,1-trichloroethane 517.33
    2-aminoethanol 183.31
    morpholine-4-carbaldehyde 574.49
    sulfolane 750.45
    2,2,4-trimethylpentane 35.9
    2-methyltetrahydrofuran 755.01
    n-hexyl acetate 299.61
    isooctane 25.89
    2-(2-butoxyethoxy)ethanol 295.94
    sec-butyl acetate 121.15
    tert-butyl acetate 190.38
    decalin 68.74
    glycerin 185.9
    diglyme 445.15
    acrylic acid 267.87
    isopropyl myristate 121.1
    n-butyric acid 432.64
    acetyl acetate 216.08
    di(2-ethylhexyl) phthalate 134.56
    ethyl propionate 152.82
    nitromethane 507.27
    1,2-diethoxyethane 231.05
    benzonitrile 288.82
    trioctyl phosphate 100.86
    1-bromopropane 272.39
    gamma-valerolactone 816.43
    n-decanol 109.89
    triethyl phosphate 117.42
    4-methyl-2-pentanol 121.98
    propionitrile 257.53
    vinylene carbonate 417.18
    1,1,2-trichlorotrifluoroethane 453.36
    DMS 202.49
    cumene 96.59
    2-octanol 118.28
    2-hexanone 193.0
    octyl acetate 153.73
    limonene 178.32
    1,2-dimethoxyethane 382.75
    ethyl orthosilicate 113.56
    tributyl phosphate 122.71
    diacetone alcohol 238.33
    N,N-dimethylaniline 146.81
    acrylonitrile 271.87
    aniline 233.61
    1,3-propanediol 262.75
    bromobenzene 293.84
    dibromomethane 593.19
    1,1,2,2-tetrachloroethane 752.45
    2-methyl-cyclohexyl acetate 217.17
    tetrabutyl urea 154.49
    diisobutyl methanol 112.44
    2-phenylethanol 219.11
    styrene 136.63
    dioctyl adipate 184.93
    dimethyl sulfate 138.17
    ethyl butyrate 189.15
    methyl lactate 132.12
    butyl lactate 159.17
    diethyl carbonate 151.27
    propanediol butyl ether 227.03
    triethyl orthoformate 154.68
    p-tert-butyltoluene 106.0
    methyl 4-tert-butylbenzoate 216.14
    morpholine 849.85
    tert-butylamine 318.81
    n-dodecanol 84.62
    dimethoxymethane 232.97
    ethylene carbonate 345.83
    cyrene 239.23
    2-ethoxyethyl acetate 199.99
    2-ethylhexyl acetate 205.31
    1,2,4-trichlorobenzene 352.23
    4-methylpyridine 442.76
    dibutyl ether 177.2
    2,6-dimethyl-4-heptanol 112.44
    DEF 259.48
    dimethyl isosorbide 439.32
    tetrachloroethylene 475.88
    eugenol 190.6
    triacetin 248.48
    span 80 260.51
    1,4-butanediol 98.41
    1,1-dichloroethane 495.48
    2-methyl-1-pentanol 171.52
    methyl formate 203.77
    2-methyl-1-butanol 233.99
    n-decane 36.79
    butyronitrile 311.76
    3,7-dimethyl-1-octanol 155.44
    1-chlorooctane 119.71
    1-chlorotetradecane 51.63
    n-nonane 37.27
    undecane 27.03
    tert-butylcyclohexane 60.81
    cyclooctane 51.84
    cyclopentanol 494.81
    tetrahydropyran 791.8
    tert-amyl methyl ether 194.21
    2,5,8-trioxanonane 343.04
    1-hexene 190.79
    2-isopropoxyethanol 144.65
    2,2,2-trifluoroethanol 165.26
    methyl butyrate 215.17

    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