2-Isopropyl-5-oxohexanal

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  • Identifiers

    CAS number
    15303-46-5

    Molecular formula
    C9H16O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 52.06%
    Herbal 39.23%
    Mint 34.1%
    Ketonic 32.62%
    Earthy 29.39%
    Fresh 27.75%
    Pungent 27.21%
    Woody 26.87%
    Green 26.73%
    Sweet 26.49%

     

    Flavor
    Fruity 64.55%
    Sweet 40.07%
    Green 37.73%
    Tropical 35.54%
    Berry 33.0%
    Herbal 31.22%
    Cheese 29.92%
    Oily 27.61%
    Pineapple 26.02%
    Fresh 25.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.53 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    226°C

    Flash point

    • 92.2 ˚C est.

  • Synonyms

    • 2-Isopropyl-5-oxohexanal
    • 15303-46-5
    • 5-oxo-2-propan-2-ylhexanal
    • DTXSID30336940
    • RefChem:87735
    • DTXCID00288028
    • JUZXYQBZHRMZNQ-UHFFFAOYSA-N
    • 5-oxo-2-isopropylhexanal
    • Hexanal,2-(1-methylethyl)-5-oxo-
    • 5-oxo-2-(propan-2-yl)hexanal
    • starbld0004636
    • SCHEMBL11798987
    • AKOS030255141
    • NS00113888
    • 2-(1-Methylethyl)-5-oxohexanal; 2-Isopropyl-5-ketohexanal; 2-Isopropyl-5-oxohexanal
    • 15303-46-5

  • Applications

    2-Isopropyl-5-oxohexanal (CAS 15303-46-5) is an organic aldehyde used primarily as an intermediate in chemical synthesis, with practical applications across fragrance and flavor chemistry, cosmetics and personal care, and as a building block for polymers/plastics and coatings/inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 563.29
    methanol 791.77
    isopropanol 412.99
    water 9.86
    ethyl acetate 234.45
    n-propanol 341.64
    acetone 420.53
    n-butanol 311.11
    acetonitrile 388.76
    DMF 433.55
    toluene 67.19
    isobutanol 225.45
    1,4-dioxane 675.56
    methyl acetate 231.73
    THF 874.29
    2-butanone 227.72
    n-pentanol 162.07
    sec-butanol 244.73
    n-hexane 17.27
    ethylene glycol 140.53
    NMP 563.07
    cyclohexane 44.64
    DMSO 440.25
    n-butyl acetate 194.56
    n-octanol 104.74
    chloroform 859.59
    n-propyl acetate 135.37
    acetic acid 712.84
    dichloromethane 727.95
    cyclohexanone 529.21
    propylene glycol 194.93
    isopropyl acetate 124.56
    DMAc 296.16
    2-ethoxyethanol 210.56
    isopentanol 214.8
    n-heptane 17.07
    ethyl formate 238.06
    1,2-dichloroethane 318.67
    n-hexanol 207.22
    2-methoxyethanol 463.15
    isobutyl acetate 95.31
    tetrachloromethane 115.96
    n-pentyl acetate 117.57
    transcutol 767.74
    n-heptanol 96.93
    ethylbenzene 50.11
    MIBK 108.55
    2-propoxyethanol 294.0
    tert-butanol 390.64
    MTBE 156.99
    2-butoxyethanol 167.86
    propionic acid 381.98
    o-xylene 65.95
    formic acid 286.57
    diethyl ether 153.33
    m-xylene 60.64
    p-xylene 84.94
    chlorobenzene 173.54
    dimethyl carbonate 61.2
    n-octane 7.32
    formamide 284.02
    cyclopentanone 584.26
    2-pentanone 181.81
    anisole 130.69
    cyclopentyl methyl ether 225.72
    gamma-butyrolactone 705.3
    1-methoxy-2-propanol 286.92
    pyridine 354.52
    3-pentanone 113.12
    furfural 604.39
    n-dodecane 7.11
    diethylene glycol 257.0
    diisopropyl ether 41.92
    tert-amyl alcohol 241.48
    acetylacetone 233.0
    n-hexadecane 7.98
    acetophenone 140.74
    methyl propionate 145.23
    isopentyl acetate 173.88
    trichloroethylene 682.87
    n-nonanol 87.96
    cyclohexanol 319.01
    benzyl alcohol 139.76
    2-ethylhexanol 115.16
    isooctanol 74.58
    dipropyl ether 95.3
    1,2-dichlorobenzene 174.36
    ethyl lactate 86.48
    propylene carbonate 398.02
    n-methylformamide 307.17
    2-pentanol 156.94
    n-pentane 17.17
    1-propoxy-2-propanol 208.58
    1-methoxy-2-propyl acetate 173.31
    2-(2-methoxypropoxy) propanol 179.61
    mesitylene 42.95
    ε-caprolactone 453.57
    p-cymene 52.32
    epichlorohydrin 586.97
    1,1,1-trichloroethane 319.04
    2-aminoethanol 247.02
    morpholine-4-carbaldehyde 500.4
    sulfolane 640.8
    2,2,4-trimethylpentane 12.75
    2-methyltetrahydrofuran 505.95
    n-hexyl acetate 183.96
    isooctane 9.18
    2-(2-butoxyethoxy)ethanol 248.14
    sec-butyl acetate 88.73
    tert-butyl acetate 134.36
    decalin 19.5
    glycerin 246.14
    diglyme 402.1
    acrylic acid 330.3
    isopropyl myristate 66.69
    n-butyric acid 487.47
    acetyl acetate 175.98
    di(2-ethylhexyl) phthalate 84.78
    ethyl propionate 113.77
    nitromethane 710.18
    1,2-diethoxyethane 174.94
    benzonitrile 229.11
    trioctyl phosphate 61.51
    1-bromopropane 151.73
    gamma-valerolactone 756.26
    n-decanol 63.69
    triethyl phosphate 75.77
    4-methyl-2-pentanol 85.43
    propionitrile 248.81
    vinylene carbonate 361.12
    1,1,2-trichlorotrifluoroethane 411.37
    DMS 134.29
    cumene 44.74
    2-octanol 67.74
    2-hexanone 136.28
    octyl acetate 88.22
    limonene 79.46
    1,2-dimethoxyethane 350.38
    ethyl orthosilicate 71.54
    tributyl phosphate 78.28
    diacetone alcohol 188.76
    N,N-dimethylaniline 87.69
    acrylonitrile 291.16
    aniline 157.01
    1,3-propanediol 349.85
    bromobenzene 152.95
    dibromomethane 417.54
    1,1,2,2-tetrachloroethane 517.45
    2-methyl-cyclohexyl acetate 139.68
    tetrabutyl urea 91.66
    diisobutyl methanol 65.93
    2-phenylethanol 153.97
    styrene 58.87
    dioctyl adipate 113.94
    dimethyl sulfate 114.27
    ethyl butyrate 139.9
    methyl lactate 115.32
    butyl lactate 118.88
    diethyl carbonate 105.75
    propanediol butyl ether 193.44
    triethyl orthoformate 104.26
    p-tert-butyltoluene 50.09
    methyl 4-tert-butylbenzoate 148.66
    morpholine 701.02
    tert-butylamine 218.67
    n-dodecanol 48.44
    dimethoxymethane 174.72
    ethylene carbonate 288.3
    cyrene 181.24
    2-ethoxyethyl acetate 154.5
    2-ethylhexyl acetate 127.59
    1,2,4-trichlorobenzene 222.78
    4-methylpyridine 297.25
    dibutyl ether 92.71
    2,6-dimethyl-4-heptanol 65.93
    DEF 194.85
    dimethyl isosorbide 313.69
    tetrachloroethylene 342.06
    eugenol 144.01
    triacetin 188.95
    span 80 186.94
    1,4-butanediol 115.42
    1,1-dichloroethane 352.03
    2-methyl-1-pentanol 137.25
    methyl formate 231.46
    2-methyl-1-butanol 187.17
    n-decane 11.5
    butyronitrile 280.54
    3,7-dimethyl-1-octanol 93.88
    1-chlorooctane 54.19
    1-chlorotetradecane 21.93
    n-nonane 10.99
    undecane 8.7
    tert-butylcyclohexane 18.8
    cyclooctane 10.87
    cyclopentanol 391.48
    tetrahydropyran 525.39
    tert-amyl methyl ether 105.53
    2,5,8-trioxanonane 296.01
    1-hexene 67.0
    2-isopropoxyethanol 139.39
    2,2,2-trifluoroethanol 216.81
    methyl butyrate 168.27

    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