Peroxyoctanoic acid

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  • Identifiers

    CAS number
    33734-57-5

    Molecular formula
    C8H16O3

    SMILES
    CCCCCCCC(=O)OO

    Safety labels

  • Odor profile

    Fragrance
    Fruity 68.43%
    Fatty 67.76%
    Waxy 59.25%
    Sweet 55.29%
    Oily 47.88%
    Green 45.51%
    Creamy 42.74%
    Winey 41.07%
    Buttery 40.93%
    Dairy 38.66%

     

    Flavor
    Waxy 66.19%
    Fruity 51.19%
    Oily 48.87%
    Fatty 47.64%
    Sweet 45.09%
    Creamy 41.88%
    Green 40.09%
    Soapy 37.07%
    Cheese 34.92%
    Coconut 33.01%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.82 (weak base)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    202°C

    Melting point expt.

    • 31 - 32 °C

    Flash point

    • 85.73 ˚C est.

  • Synonyms

    • peroxyoctanoic acid
    • Octaneperoxoic Acid
    • 33734-57-5
    • percaprylic acid
    • peroctanoic acid
    • UNII-U1654TA1CQ
    • U1654TA1CQ
    • PEROXYCAPRYLIC ACID
    • DTXSID7074618
    • RefChem:171840
    • DTXCID6038740
    • Octaneperoxoic acid, 9CI
    • SCHEMBL28012
    • CHEBI:173699
    • CVXHBROPWMVEQO-UHFFFAOYSA-N
    • NS00007330
    • Q27290547
    • 33734-57-5

  • Applications

    Peroxyoctanoic acid (CAS 33734-57-5) is a peracid oxidizing agent used in organic synthesis, notably for epoxidations and Baeyer–Villiger oxidations. It is also considered for cleaning and disinfection formulations in industrial settings to sanitize equipment and surfaces, subject to local regulations and formulation limits. Additionally, it can serve as an intermediate in the synthesis of other peracids or oxidants, and may be applied in polymer chemistry for functionalization or surface treatment. In pharmaceutical manufacturing, it may be used as an oxidant in controlled steps of synthetic routes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2566.05
    methanol 3277.36
    isopropanol 1750.01
    water 0.18
    ethyl acetate 2548.3
    n-propanol 1574.09
    acetone 5009.67
    n-butanol 1334.01
    acetonitrile 1524.04
    DMF 5000.43
    toluene 445.71
    isobutanol 1157.35
    1,4-dioxane 1723.19
    methyl acetate 1562.61
    THF 3678.98
    2-butanone 2577.72
    n-pentanol 982.88
    sec-butanol 1227.78
    n-hexane 131.59
    ethylene glycol 397.81
    NMP 3693.72
    cyclohexane 111.42
    DMSO 8726.27
    n-butyl acetate 1638.28
    n-octanol 320.87
    chloroform 1475.41
    n-propyl acetate 1472.43
    acetic acid 2041.2
    dichloromethane 1910.35
    cyclohexanone 3359.96
    propylene glycol 598.2
    isopropyl acetate 1448.64
    DMAc 2111.52
    2-ethoxyethanol 1609.44
    isopentanol 1318.58
    n-heptane 38.02
    ethyl formate 1021.32
    1,2-dichloroethane 2167.72
    n-hexanol 870.1
    2-methoxyethanol 3147.45
    isobutyl acetate 733.08
    tetrachloromethane 210.96
    n-pentyl acetate 771.48
    transcutol 6737.38
    n-heptanol 292.84
    ethylbenzene 316.34
    MIBK 1323.92
    2-propoxyethanol 1702.51
    tert-butanol 2078.31
    MTBE 1532.22
    2-butoxyethanol 767.33
    propionic acid 1305.88
    o-xylene 344.79
    formic acid 699.21
    diethyl ether 1423.01
    m-xylene 437.61
    p-xylene 354.46
    chlorobenzene 774.65
    dimethyl carbonate 468.99
    n-octane 19.99
    formamide 1739.63
    cyclopentanone 4198.42
    2-pentanone 2600.17
    anisole 794.86
    cyclopentyl methyl ether 2012.58
    gamma-butyrolactone 4161.48
    1-methoxy-2-propanol 2531.2
    pyridine 1580.4
    3-pentanone 1334.81
    furfural 2664.27
    n-dodecane 15.52
    diethylene glycol 1192.47
    diisopropyl ether 461.9
    tert-amyl alcohol 1503.32
    acetylacetone 2732.8
    n-hexadecane 19.1
    acetophenone 855.52
    methyl propionate 1677.81
    isopentyl acetate 1373.4
    trichloroethylene 3591.05
    n-nonanol 274.08
    cyclohexanol 1168.83
    benzyl alcohol 660.34
    2-ethylhexanol 496.68
    isooctanol 268.2
    dipropyl ether 515.5
    1,2-dichlorobenzene 832.28
    ethyl lactate 495.02
    propylene carbonate 1595.48
    n-methylformamide 2459.74
    2-pentanol 1033.84
    n-pentane 73.73
    1-propoxy-2-propanol 1327.68
    1-methoxy-2-propyl acetate 1524.9
    2-(2-methoxypropoxy) propanol 881.63
    mesitylene 293.67
    ε-caprolactone 2406.78
    p-cymene 177.74
    epichlorohydrin 4017.57
    1,1,1-trichloroethane 1403.83
    2-aminoethanol 947.55
    morpholine-4-carbaldehyde 2552.43
    sulfolane 5455.91
    2,2,4-trimethylpentane 48.58
    2-methyltetrahydrofuran 2758.91
    n-hexyl acetate 1043.82
    isooctane 51.48
    2-(2-butoxyethoxy)ethanol 1404.46
    sec-butyl acetate 930.6
    tert-butyl acetate 1671.59
    decalin 87.44
    glycerin 767.23
    diglyme 2434.0
    acrylic acid 1027.18
    isopropyl myristate 304.34
    n-butyric acid 2086.83
    acetyl acetate 1039.59
    di(2-ethylhexyl) phthalate 289.01
    ethyl propionate 1186.62
    nitromethane 4313.76
    1,2-diethoxyethane 1497.45
    benzonitrile 893.68
    trioctyl phosphate 207.72
    1-bromopropane 927.21
    gamma-valerolactone 4198.67
    n-decanol 195.63
    triethyl phosphate 282.68
    4-methyl-2-pentanol 553.1
    propionitrile 1039.8
    vinylene carbonate 1218.47
    1,1,2-trichlorotrifluoroethane 2118.51
    DMS 793.37
    cumene 214.46
    2-octanol 239.8
    2-hexanone 1512.8
    octyl acetate 398.42
    limonene 301.03
    1,2-dimethoxyethane 2264.93
    ethyl orthosilicate 272.68
    tributyl phosphate 333.89
    diacetone alcohol 2011.9
    N,N-dimethylaniline 480.0
    acrylonitrile 1510.54
    aniline 745.09
    1,3-propanediol 1433.52
    bromobenzene 755.03
    dibromomethane 1211.88
    1,1,2,2-tetrachloroethane 2925.57
    2-methyl-cyclohexyl acetate 583.3
    tetrabutyl urea 419.91
    diisobutyl methanol 298.74
    2-phenylethanol 595.08
    styrene 419.42
    dioctyl adipate 522.63
    dimethyl sulfate 995.81
    ethyl butyrate 851.52
    methyl lactate 785.32
    butyl lactate 693.94
    diethyl carbonate 447.52
    propanediol butyl ether 987.99
    triethyl orthoformate 458.74
    p-tert-butyltoluene 186.74
    methyl 4-tert-butylbenzoate 595.32
    morpholine 2929.01
    tert-butylamine 1053.27
    n-dodecanol 140.64
    dimethoxymethane 1898.92
    ethylene carbonate 984.29
    cyrene 729.75
    2-ethoxyethyl acetate 1198.8
    2-ethylhexyl acetate 926.27
    1,2,4-trichlorobenzene 933.04
    4-methylpyridine 1801.56
    dibutyl ether 532.75
    2,6-dimethyl-4-heptanol 298.74
    DEF 2468.53
    dimethyl isosorbide 1463.89
    tetrachloroethylene 1598.34
    eugenol 626.97
    triacetin 865.1
    span 80 746.21
    1,4-butanediol 516.16
    1,1-dichloroethane 1776.58
    2-methyl-1-pentanol 946.17
    methyl formate 1304.89
    2-methyl-1-butanol 1116.21
    n-decane 28.69
    butyronitrile 1293.27
    3,7-dimethyl-1-octanol 433.94
    1-chlorooctane 201.19
    1-chlorotetradecane 69.07
    n-nonane 28.83
    undecane 20.64
    tert-butylcyclohexane 83.23
    cyclooctane 37.36
    cyclopentanol 1442.94
    tetrahydropyran 2156.57
    tert-amyl methyl ether 1061.46
    2,5,8-trioxanonane 1497.91
    1-hexene 596.35
    2-isopropoxyethanol 1167.39
    2,2,2-trifluoroethanol 486.11
    methyl butyrate 1638.23

    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