2,4-Dimethyl-3-pentanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    565-80-0

    Molecular formula
    C7H14O

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fruity 86.08%
    Herbal 64.41%
    Ethereal 56.16%
    Ketonic 52.81%
    Cheesy 43.67%
    Mint 39.44%
    Fresh 37.77%
    Sweet 32.15%
    Pungent 30.65%
    Camphoreous 29.67%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -69 °C

    Boiling point

    • 125.40 °C. @ 760.00 mm Hg

    Flash point est.
    20.94 ˚C

    Solubility expt.

    • 5.7 mg/mL at 25 °C

  • Synonyms

    • 2,4-DIMETHYL-3-PENTANONE
    • 565-80-0
    • Diisopropyl ketone
    • 2,4-Dimethylpentan-3-one
    • Isobutyrone
    • Isopropyl ketone
    • 3-Pentanone, 2,4-dimethyl-
    • DIISOPROPYLKETONE
    • (iso-C3H7)2CO
    • UNII-7AAP3A50IG
    • EINECS 209-294-7
    • 7AAP3A50IG
    • NSC 14662
    • 2,4-dimethyl-pentan-3-one
    • PM 2763
    • di-iso-propyl ketone
    • DTXSID3038771
    • 3-PENTANONE,2,4-DIMETHYL
    • MFCD00008918
    • NSC-14662
    • DTXCID1018771
    • CHEBI:87754
    • Diisopropyl ketone (2,4-Dimethyl-3-pentanone)
    • isopropylketone
    • diisopropylketon
    • 2,4Dimethylpentan3one
    • 3-Pentanone,4-dimethyl-
    • 3Pentanone, 2,4dimethyl
    • SCHEMBL25173
    • 2, 4-Dimethyl-3-pentanone
    • CHEMBL3560924
    • 2,4-Dimethyl-3-pentanone, 98%
    • NSC14662
    • Tox21_303876
    • AKOS005206866
    • NCGC00357269-01
    • CAS-565-80-0
    • LS-13330
    • D0770
    • NS00020097
    • EN300-67377
    • 2,4-Dimethyl-3-pentanone (diisopropyl ketone)
    • A831104
    • Q27159900

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1708.15
    methanol 2596.52
    isopropanol 1391.64
    water 18.76
    ethyl acetate 1500.13
    n-propanol 1410.54
    acetone 1487.61
    n-butanol 1502.23
    acetonitrile 1668.01
    DMF 1172.12
    toluene 728.84
    isobutanol 1260.89
    1,4-dioxane 1914.46
    methyl acetate 1316.0
    THF 2303.97
    2-butanone 1414.55
    n-pentanol 987.11
    sec-butanol 1465.83
    n-hexane 982.77
    ethylene glycol 329.81
    NMP 1723.93
    cyclohexane 859.54
    DMSO 860.45
    n-butyl acetate 1853.93
    n-octanol 947.81
    chloroform 4755.13
    n-propyl acetate 1082.99
    acetic acid 1615.6
    dichloromethane 3826.1
    cyclohexanone 2229.36
    propylene glycol 386.36
    isopropyl acetate 995.15
    DMAc 1149.45
    2-ethoxyethanol 1016.79
    isopentanol 1364.72
    n-heptane 670.34
    ethyl formate 1115.44
    1,2-dichloroethane 1918.18
    n-hexanol 1430.53
    2-methoxyethanol 1496.75
    isobutyl acetate 722.35
    tetrachloromethane 1856.48
    n-pentyl acetate 1340.05
    transcutol 2406.96
    n-heptanol 881.8
    ethylbenzene 609.51
    MIBK 808.02
    2-propoxyethanol 1456.54
    tert-butanol 1629.75
    MTBE 1738.91
    2-butoxyethanol 1070.86
    propionic acid 1326.76
    o-xylene 612.42
    formic acid 685.46
    diethyl ether 1689.55
    m-xylene 587.65
    p-xylene 900.15
    chlorobenzene 1268.68
    dimethyl carbonate 348.33
    n-octane 297.22
    formamide 680.42
    cyclopentanone 2064.75
    2-pentanone 1247.99
    anisole 869.67
    cyclopentyl methyl ether 1483.52
    gamma-butyrolactone 2329.8
    1-methoxy-2-propanol 986.88
    pyridine 1477.72
    3-pentanone 1067.16
    furfural 2004.71
    n-dodecane 152.47
    diethylene glycol 824.53
    diisopropyl ether 701.69
    tert-amyl alcohol 1665.97
    acetylacetone 1072.67
    n-hexadecane 172.02
    acetophenone 823.93
    methyl propionate 962.93
    isopentyl acetate 1583.2
    trichloroethylene 3460.8
    n-nonanol 781.2
    cyclohexanol 1511.56
    benzyl alcohol 685.04
    2-ethylhexanol 1136.85
    isooctanol 724.06
    dipropyl ether 1294.41
    1,2-dichlorobenzene 1310.66
    ethyl lactate 413.97
    propylene carbonate 1515.25
    n-methylformamide 948.29
    2-pentanol 1200.74
    n-pentane 685.29
    1-propoxy-2-propanol 1267.23
    1-methoxy-2-propyl acetate 948.17
    2-(2-methoxypropoxy) propanol 676.52
    mesitylene 430.36
    ε-caprolactone 2020.72
    p-cymene 629.22
    epichlorohydrin 2189.52
    1,1,1-trichloroethane 2731.4
    2-aminoethanol 670.65
    morpholine-4-carbaldehyde 1555.72
    sulfolane 2107.29
    2,2,4-trimethylpentane 351.02
    2-methyltetrahydrofuran 2400.55
    n-hexyl acetate 1721.47
    isooctane 239.62
    2-(2-butoxyethoxy)ethanol 977.06
    sec-butyl acetate 794.76
    tert-butyl acetate 1016.77
    decalin 422.32
    glycerin 448.94
    diglyme 1763.92
    acrylic acid 1065.43
    isopropyl myristate 543.98
    n-butyric acid 1848.1
    acetyl acetate 907.22
    di(2-ethylhexyl) phthalate 431.2
    ethyl propionate 925.45
    nitromethane 1821.94
    1,2-diethoxyethane 1506.6
    benzonitrile 1237.51
    trioctyl phosphate 369.52
    1-bromopropane 1581.35
    gamma-valerolactone 2232.08
    n-decanol 524.48
    triethyl phosphate 493.78
    4-methyl-2-pentanol 661.28
    propionitrile 1331.43
    vinylene carbonate 1344.8
    1,1,2-trichlorotrifluoroethane 1505.54
    DMS 797.59
    cumene 497.63
    2-octanol 749.35
    2-hexanone 1162.75
    octyl acetate 699.52
    limonene 917.65
    1,2-dimethoxyethane 1639.82
    ethyl orthosilicate 543.69
    tributyl phosphate 484.98
    diacetone alcohol 852.69
    N,N-dimethylaniline 609.94
    acrylonitrile 1330.63
    aniline 837.31
    1,3-propanediol 994.05
    bromobenzene 1344.15
    dibromomethane 2888.92
    1,1,2,2-tetrachloroethane 2846.91
    2-methyl-cyclohexyl acetate 872.62
    tetrabutyl urea 530.65
    diisobutyl methanol 637.2
    2-phenylethanol 814.58
    styrene 692.42
    dioctyl adipate 636.73
    dimethyl sulfate 498.72
    ethyl butyrate 1200.59
    methyl lactate 395.98
    butyl lactate 809.4
    diethyl carbonate 766.74
    propanediol butyl ether 808.45
    triethyl orthoformate 837.93
    p-tert-butyltoluene 583.62
    methyl 4-tert-butylbenzoate 746.88
    morpholine 1955.06
    tert-butylamine 1428.95
    n-dodecanol 375.66
    dimethoxymethane 857.98
    ethylene carbonate 1195.14
    cyrene 540.04
    2-ethoxyethyl acetate 1161.5
    2-ethylhexyl acetate 1398.17
    1,2,4-trichlorobenzene 1375.26
    4-methylpyridine 1674.39
    dibutyl ether 1336.96
    2,6-dimethyl-4-heptanol 637.2
    DEF 1286.33
    dimethyl isosorbide 1166.17
    tetrachloroethylene 2551.52
    eugenol 681.47
    triacetin 879.12
    span 80 693.49
    1,4-butanediol 469.43
    1,1-dichloroethane 2303.38
    2-methyl-1-pentanol 1009.28
    methyl formate 805.58
    2-methyl-1-butanol 1394.94
    n-decane 304.41
    butyronitrile 1671.28
    3,7-dimethyl-1-octanol 869.79
    1-chlorooctane 831.49
    1-chlorotetradecane 294.3
    n-nonane 356.22
    undecane 203.1
    tert-butylcyclohexane 447.23
    cyclooctane 346.07
    cyclopentanol 1464.91
    tetrahydropyran 2110.83
    tert-amyl methyl ether 1375.32
    2,5,8-trioxanonane 950.12
    1-hexene 1404.63
    2-isopropoxyethanol 781.35
    2,2,2-trifluoroethanol 678.23
    methyl butyrate 1233.01

    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
Narcissus tazetta headspace (China) 1 8023-75-4 Narcissus tazetta L. var. chinensis Roem., fam. Amaryllidaceae 0.27%
Narcissus tazetta headspace (China) 2 8023-75-4 Narcissus tazetta L. var chinensis Roem. f. florepleno, fam.Amaryllidaceae 0.55%
Luculia intermedia flower headspace (China) Luclia intermedia Hutch, fam. Rubiaceae 17.27%
Cymbidium sinense flower headspace (China) Cymbidium sinense (Andr.) Willd., fam. Orchidaceae 11.0%