Octanal, 2-oxo-

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  • Identifiers

    CAS number
    2363-86-2

    Molecular formula
    C8H14O2

    SMILES
    CCCCCCC(=O)C=O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 72.37%
    Green 66.77%
    Sweet 59.7%
    Fruity 50.94%
    Waxy 49.06%
    Creamy 46.18%
    Aldehydic 45.5%
    Cheesy 44.71%
    Buttery 44.3%
    Mushroom 44.15%

     

    Flavor
    Fatty 48.72%
    Oily 43.36%
    Waxy 38.69%
    Herbal 37.62%
    Fruity 37.36%
    Sweet 36.56%
    Fat 33.46%
    Mushroom 33.15%
    Cheese 31.4%
    Creamy 29.09%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.96 (neutral)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    211°C

    Flash point

    • 72.34 ˚C est.

  • Synonyms

    • 2-Oxooctanal
    • Octanal, 2-oxo-
    • 2363-86-2
    • DTXSID10178305
    • RefChem:366800
    • DTXCID00100796
    • 1.2-octanedione
    • SCHEMBL83435
    • SCHEMBL3032223
    • SCHEMBL10448635
    • 2363-86-2

  • Applications

    Octanal, 2-oxo- (CAS 2363-86-2) is an alpha-oxo aldehyde, primarily used as an intermediate in organic synthesis. In fragrance and flavor chemistry, it is commonly evaluated as a building block for creating fragrance materials and aroma compounds. In cosmetics and personal care, it may be used as a reactive intermediate in formulation work. In polymers and plastics, it can serve as a building block for specialty polymers or as a precursor in polymer synthesis routes. In coatings and inks, it can be used as a component in fragrance-containing formulations or as a reactive aldehyde/ketone for resin synthesis. Its use is generally subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1360.36
    methanol 2108.79
    isopropanol 766.09
    water 0.9
    ethyl acetate 1855.01
    n-propanol 914.44
    acetone 3811.49
    n-butanol 793.82
    acetonitrile 1440.26
    DMF 4012.68
    toluene 486.38
    isobutanol 683.35
    1,4-dioxane 1186.11
    methyl acetate 1387.75
    THF 2509.95
    2-butanone 2054.21
    n-pentanol 531.41
    sec-butanol 631.46
    n-hexane 109.0
    ethylene glycol 369.26
    NMP 3592.96
    cyclohexane 129.11
    DMSO 6638.38
    n-butyl acetate 1379.95
    n-octanol 213.49
    chloroform 2015.61
    n-propyl acetate 1113.48
    acetic acid 2034.5
    dichloromethane 2554.1
    cyclohexanone 2932.65
    propylene glycol 404.58
    isopropyl acetate 938.16
    DMAc 1812.62
    2-ethoxyethanol 902.16
    isopentanol 774.87
    n-heptane 40.25
    ethyl formate 1023.7
    1,2-dichloroethane 2503.23
    n-hexanol 594.63
    2-methoxyethanol 1918.63
    isobutyl acetate 577.55
    tetrachloromethane 377.8
    n-pentyl acetate 610.83
    transcutol 5309.15
    n-heptanol 193.1
    ethylbenzene 289.46
    MIBK 875.45
    2-propoxyethanol 1163.77
    tert-butanol 1069.03
    MTBE 881.84
    2-butoxyethanol 517.38
    propionic acid 1288.54
    o-xylene 320.56
    formic acid 926.91
    diethyl ether 844.3
    m-xylene 365.06
    p-xylene 359.52
    chlorobenzene 1051.77
    dimethyl carbonate 534.05
    n-octane 16.39
    formamide 1747.9
    cyclopentanone 3855.12
    2-pentanone 1765.03
    anisole 668.74
    cyclopentyl methyl ether 1420.57
    gamma-butyrolactone 3963.63
    1-methoxy-2-propanol 1302.32
    pyridine 1845.31
    3-pentanone 1131.81
    furfural 3017.36
    n-dodecane 11.51
    diethylene glycol 908.72
    diisopropyl ether 263.11
    tert-amyl alcohol 821.53
    acetylacetone 2077.81
    n-hexadecane 14.2
    acetophenone 767.7
    methyl propionate 1378.61
    isopentyl acetate 1096.63
    trichloroethylene 4703.72
    n-nonanol 175.99
    cyclohexanol 809.63
    benzyl alcohol 556.59
    2-ethylhexanol 359.68
    isooctanol 174.65
    dipropyl ether 410.58
    1,2-dichlorobenzene 1062.87
    ethyl lactate 410.28
    propylene carbonate 1752.67
    n-methylformamide 2167.09
    2-pentanol 526.99
    n-pentane 61.33
    1-propoxy-2-propanol 863.73
    1-methoxy-2-propyl acetate 1122.5
    2-(2-methoxypropoxy) propanol 649.42
    mesitylene 241.19
    ε-caprolactone 2050.72
    p-cymene 176.39
    epichlorohydrin 3422.44
    1,1,1-trichloroethane 1889.67
    2-aminoethanol 690.7
    morpholine-4-carbaldehyde 2211.8
    sulfolane 5502.34
    2,2,4-trimethylpentane 43.58
    2-methyltetrahydrofuran 1907.2
    n-hexyl acetate 842.51
    isooctane 37.21
    2-(2-butoxyethoxy)ethanol 981.43
    sec-butyl acetate 654.22
    tert-butyl acetate 1108.71
    decalin 81.74
    glycerin 614.38
    diglyme 1811.56
    acrylic acid 1271.44
    isopropyl myristate 235.65
    n-butyric acid 1734.17
    acetyl acetate 1006.6
    di(2-ethylhexyl) phthalate 243.21
    ethyl propionate 873.85
    nitromethane 4450.56
    1,2-diethoxyethane 1119.75
    benzonitrile 956.18
    trioctyl phosphate 167.8
    1-bromopropane 886.63
    gamma-valerolactone 3529.9
    n-decanol 124.52
    triethyl phosphate 271.9
    4-methyl-2-pentanol 300.7
    propionitrile 950.88
    vinylene carbonate 1477.57
    1,1,2-trichlorotrifluoroethane 2211.26
    DMS 833.36
    cumene 186.69
    2-octanol 152.98
    2-hexanone 1128.56
    octyl acetate 300.03
    limonene 277.87
    1,2-dimethoxyethane 1526.17
    ethyl orthosilicate 259.07
    tributyl phosphate 279.17
    diacetone alcohol 1234.45
    N,N-dimethylaniline 388.63
    acrylonitrile 1638.52
    aniline 823.5
    1,3-propanediol 900.84
    bromobenzene 1080.85
    dibromomethane 1494.76
    1,1,2,2-tetrachloroethane 3218.49
    2-methyl-cyclohexyl acetate 518.07
    tetrabutyl urea 353.29
    diisobutyl methanol 215.96
    2-phenylethanol 544.88
    styrene 423.31
    dioctyl adipate 412.86
    dimethyl sulfate 1121.15
    ethyl butyrate 751.84
    methyl lactate 619.38
    butyl lactate 555.29
    diethyl carbonate 443.86
    propanediol butyl ether 680.29
    triethyl orthoformate 417.44
    p-tert-butyltoluene 171.08
    methyl 4-tert-butylbenzoate 489.82
    morpholine 1729.67
    tert-butylamine 574.34
    n-dodecanol 90.23
    dimethoxymethane 1359.32
    ethylene carbonate 1126.3
    cyrene 587.35
    2-ethoxyethyl acetate 996.48
    2-ethylhexyl acetate 799.12
    1,2,4-trichlorobenzene 1165.02
    4-methylpyridine 1887.17
    dibutyl ether 377.27
    2,6-dimethyl-4-heptanol 215.96
    DEF 1852.6
    dimethyl isosorbide 1189.89
    tetrachloroethylene 2151.55
    eugenol 535.98
    triacetin 764.28
    span 80 544.17
    1,4-butanediol 319.3
    1,1-dichloroethane 1864.61
    2-methyl-1-pentanol 533.87
    methyl formate 1428.19
    2-methyl-1-butanol 657.2
    n-decane 21.13
    butyronitrile 1005.45
    3,7-dimethyl-1-octanol 292.61
    1-chlorooctane 167.88
    1-chlorotetradecane 54.65
    n-nonane 22.03
    undecane 15.05
    tert-butylcyclohexane 73.47
    cyclooctane 38.19
    cyclopentanol 1045.36
    tetrahydropyran 1481.27
    tert-amyl methyl ether 618.41
    2,5,8-trioxanonane 1084.07
    1-hexene 408.72
    2-isopropoxyethanol 644.69
    2,2,2-trifluoroethanol 672.75
    methyl butyrate 1379.89

    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