Octan-4-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    589-63-9

    Molecular formula
    C8H16O

    SMILES
    CCCCC(=O)CCC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 89.55%
    Green 79.15%
    Herbal 68.22%
    Sweet 60.1%
    Cheesy 55.05%
    Ketonic 48.16%
    Earthy 43.98%
    Oily 38.57%
    Musty 38.05%
    Spicy 36.84%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    165°C

    Flash point est.
    48.83 ˚C

  • Synonyms

    • 4-OCTANONE
    • Octan-4-one
    • 589-63-9
    • Butyl propyl ketone
    • Propyl n-butyl ketone
    • EINECS 209-655-9
    • DTXSID40207637
    • NSC 43245
    • Octan4one
    • nButylnpropylketone
    • propyl butyl ketone
    • nButylnpropyl ketone
    • MFCD00027241
    • n-C4H9COCH2CH2CH3
    • SCHEMBL109288
    • DTXCID90130128
    • NSC43245
    • NSC-43245
    • AKOS009159007
    • DB-053297
    • NS00034050
    • O0218
    • EN300-99464
    • T72667
    • Q20054538
    • 209-655-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6303.44
    methanol 6666.94
    isopropanol 6241.79
    water 2.47
    ethyl acetate 2309.33
    n-propanol 5455.21
    acetone 4242.2
    n-butanol 4986.12
    acetonitrile 3868.78
    DMF 3471.79
    toluene 1280.19
    isobutanol 4282.06
    1,4-dioxane 3993.38
    methyl acetate 1903.55
    THF 4868.47
    2-butanone 2744.96
    n-pentanol 3207.84
    sec-butanol 4771.8
    n-hexane 2601.62
    ethylene glycol 792.6
    NMP 2586.77
    cyclohexane 2481.0
    DMSO 2736.07
    n-butyl acetate 3206.18
    n-octanol 2016.41
    chloroform 9654.03
    n-propyl acetate 1761.01
    acetic acid 3600.5
    dichloromethane 6209.07
    cyclohexanone 4624.5
    propylene glycol 1401.82
    isopropyl acetate 1469.31
    DMAc 1785.39
    2-ethoxyethanol 1995.24
    isopentanol 3834.0
    n-heptane 1393.72
    ethyl formate 1899.99
    1,2-dichloroethane 3257.7
    n-hexanol 4512.68
    2-methoxyethanol 3463.09
    isobutyl acetate 1133.24
    tetrachloromethane 1958.78
    n-pentyl acetate 1789.97
    transcutol 4909.4
    n-heptanol 1777.78
    ethylbenzene 996.3
    MIBK 1388.0
    2-propoxyethanol 3444.09
    tert-butanol 5572.84
    MTBE 3377.11
    2-butoxyethanol 1936.37
    propionic acid 2913.53
    o-xylene 759.81
    formic acid 789.9
    diethyl ether 3379.12
    m-xylene 779.35
    p-xylene 1305.19
    chlorobenzene 2279.75
    dimethyl carbonate 419.82
    n-octane 463.04
    formamide 827.88
    cyclopentanone 3781.01
    2-pentanone 2339.63
    anisole 1352.08
    cyclopentyl methyl ether 2431.58
    gamma-butyrolactone 3455.48
    1-methoxy-2-propanol 2581.05
    pyridine 4201.74
    3-pentanone 1452.09
    furfural 2897.32
    n-dodecane 275.14
    diethylene glycol 1775.36
    diisopropyl ether 999.25
    tert-amyl alcohol 3967.11
    acetylacetone 1594.23
    n-hexadecane 311.18
    acetophenone 1147.95
    methyl propionate 1330.54
    isopentyl acetate 2657.71
    trichloroethylene 5982.76
    n-nonanol 1560.26
    cyclohexanol 4275.24
    benzyl alcohol 1324.81
    2-ethylhexanol 2566.42
    isooctanol 1353.22
    dipropyl ether 2444.12
    1,2-dichlorobenzene 1690.32
    ethyl lactate 665.3
    propylene carbonate 2010.83
    n-methylformamide 2039.9
    2-pentanol 3393.75
    n-pentane 1691.54
    1-propoxy-2-propanol 2727.52
    1-methoxy-2-propyl acetate 1436.45
    2-(2-methoxypropoxy) propanol 1205.4
    mesitylene 563.41
    ε-caprolactone 3322.63
    p-cymene 718.93
    epichlorohydrin 3268.74
    1,1,1-trichloroethane 4038.35
    2-aminoethanol 2008.34
    morpholine-4-carbaldehyde 2488.03
    sulfolane 3239.29
    2,2,4-trimethylpentane 463.47
    2-methyltetrahydrofuran 4255.6
    n-hexyl acetate 2513.8
    isooctane 403.5
    2-(2-butoxyethoxy)ethanol 1793.03
    sec-butyl acetate 1121.04
    tert-butyl acetate 1377.9
    decalin 688.7
    glycerin 1343.75
    diglyme 2900.41
    acrylic acid 2131.23
    isopropyl myristate 841.15
    n-butyric acid 4682.95
    acetyl acetate 1068.71
    di(2-ethylhexyl) phthalate 669.42
    ethyl propionate 1194.05
    nitromethane 3162.19
    1,2-diethoxyethane 2134.96
    benzonitrile 2549.69
    trioctyl phosphate 551.22
    1-bromopropane 3496.21
    gamma-valerolactone 3790.86
    n-decanol 1043.99
    triethyl phosphate 580.64
    4-methyl-2-pentanol 1504.43
    propionitrile 3448.07
    vinylene carbonate 1812.4
    1,1,2-trichlorotrifluoroethane 2543.57
    DMS 889.34
    cumene 677.5
    2-octanol 1411.75
    2-hexanone 2278.89
    octyl acetate 1008.91
    limonene 1326.26
    1,2-dimethoxyethane 3815.63
    ethyl orthosilicate 618.4
    tributyl phosphate 689.67
    diacetone alcohol 1392.43
    N,N-dimethylaniline 954.92
    acrylonitrile 3230.37
    aniline 1815.35
    1,3-propanediol 2650.65
    bromobenzene 2396.76
    dibromomethane 5083.22
    1,1,2,2-tetrachloroethane 5174.7
    2-methyl-cyclohexyl acetate 1197.81
    tetrabutyl urea 858.87
    diisobutyl methanol 1208.47
    2-phenylethanol 1484.99
    styrene 1375.92
    dioctyl adipate 1001.25
    dimethyl sulfate 591.37
    ethyl butyrate 1703.62
    methyl lactate 710.4
    butyl lactate 1230.13
    diethyl carbonate 947.88
    propanediol butyl ether 1866.52
    triethyl orthoformate 1101.15
    p-tert-butyltoluene 673.09
    methyl 4-tert-butylbenzoate 1024.45
    morpholine 5180.99
    tert-butylamine 4352.58
    n-dodecanol 753.97
    dimethoxymethane 1485.52
    ethylene carbonate 1649.42
    cyrene 769.2
    2-ethoxyethyl acetate 1377.9
    2-ethylhexyl acetate 1989.04
    1,2,4-trichlorobenzene 1760.09
    4-methylpyridine 3733.25
    dibutyl ether 2401.03
    2,6-dimethyl-4-heptanol 1208.47
    DEF 2379.56
    dimethyl isosorbide 1477.71
    tetrachloroethylene 3740.29
    eugenol 1039.33
    triacetin 1250.71
    span 80 1481.05
    1,4-butanediol 1134.64
    1,1-dichloroethane 4972.01
    2-methyl-1-pentanol 2477.1
    methyl formate 1292.69
    2-methyl-1-butanol 3471.47
    n-decane 544.71
    butyronitrile 4567.0
    3,7-dimethyl-1-octanol 1675.0
    1-chlorooctane 1455.33
    1-chlorotetradecane 485.62
    n-nonane 628.68
    undecane 367.78
    tert-butylcyclohexane 665.76
    cyclooctane 607.89
    cyclopentanol 3970.29
    tetrahydropyran 5849.23
    tert-amyl methyl ether 1980.76
    2,5,8-trioxanonane 1710.44
    1-hexene 4445.1
    2-isopropoxyethanol 1536.37
    2,2,2-trifluoroethanol 744.13
    methyl butyrate 2132.66

    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
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.39%