Phthalimidoperoxycaproic acid

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  • Identifiers

    CAS number
    128275-31-0

    Molecular formula
    C14H15NO5

    SMILES
    C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)OO

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 55.78%
    Sweet 24.81%
    Savory 24.72%
    Milky 22.86%
    Buttery 19.38%
    Lactonic 18.63%
    Caramellic 18.58%
    Cooling 18.1%
    Burnt 17.34%
    Cooked 17.1%

     

    Flavor
    Bitter 74.91%
    Odorless 37.62%
    Bland 28.4%
    Sweet-like 20.64%
    Cedarleaf 19.31%
    Lovage 19.29%
    Mild 19.08%
    Nitrile 19.06%
    Very mild 19.04%
    Heather 18.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.12 (neutral)

    Molecular weight
    277.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    432°C

    Flash point

    • 215.17 ˚C est.

  • Synonyms

    • PHTHALIMIDOPEROXYCAPROIC ACID
    • Eureco HC
    • 6-Phthalimidohexaneperoxoic acid
    • 5-(Phthalimido)percaproic acid
    • 2H-Isoindole-2-hexaneperoxoic acid, 1,3-dihydro-1,3-dioxo-
    • 5OEJ6FAL6C
    • 6-(phthalimido)peroxyhexanoic acid
    • 6-(Phthalimidoperoxy)hexanoic acid
    • epsilon-(Phthalimidoperoxy)hexanoic acid
    • DTXSID60155848
    • EC 410-850-8
    • .EPSILON.-(PHTHALIMIDOPEROXY)HEXANOIC ACID
    • Teeth Whitening Strips
    • RefChem:863048
    • Neateeth Teeth Whitening Strips
    • DTXCID9078339
    • PHTHALIMIDOPEROXYCAPROIC ACID [INCI]
    • 410-850-8
    • 128275-31-0
    • UNII-5OEJ6FAL6C
    • 6-(1,3-dioxoisoindol-2-yl)hexaneperoxoic Acid
    • 1,3-dihydro-1,3-dioxo-2h-isoindole-2-hexaneperoxoic acid
    • SCHEMBL21636
    • SCHEMBL29367891
    • UZJGVXSQDRSSHU-UHFFFAOYSA-N
    • NS00007499
    • Q27262643
    • 6-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)hexaneperoxoic acid
    • 128275-31-0

  • Applications

    Phthalimidoperoxycaproic acid (CAS 128275-31-0) is a stabilized peracid that functions as an oxidizing reagent in industrial chemical synthesis, enabling selective oxidations such as epoxidations of alkenes and Baeyer–Villiger oxidations in pharmaceutical and fine-chemical manufacturing; it is also used as a bleaching/oxidizing agent in textiles and paper processing and as a tool for surface functionalization or modification in coatings, inks, and polymers; in cleaning and disinfection formulations it may serve as an oxidizing component where formulation constraints permit; and it is evaluated as an intermediate oxidant in pharmaceutical synthesis and can participate in polymer modification chemistries under appropriate conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.11
    methanol 12.27
    isopropanol 4.17
    water 0.05
    ethyl acetate 11.93
    n-propanol 5.36
    acetone 28.34
    n-butanol 6.6
    acetonitrile 17.32
    DMF 67.4
    toluene 6.42
    isobutanol 3.89
    1,4-dioxane 28.55
    methyl acetate 19.82
    THF 45.08
    2-butanone 27.67
    n-pentanol 7.22
    sec-butanol 5.91
    n-hexane 0.08
    ethylene glycol 3.78
    NMP 61.06
    cyclohexane 0.18
    DMSO 59.84
    n-butyl acetate 11.25
    n-octanol 2.71
    chloroform 27.04
    n-propyl acetate 11.2
    acetic acid 20.36
    dichloromethane 35.59
    cyclohexanone 44.64
    propylene glycol 3.45
    isopropyl acetate 9.58
    DMAc 100.05
    2-ethoxyethanol 32.42
    isopentanol 8.88
    n-heptane 0.07
    ethyl formate 11.11
    1,2-dichloroethane 28.93
    n-hexanol 5.81
    2-methoxyethanol 45.85
    isobutyl acetate 6.78
    tetrachloromethane 1.62
    n-pentyl acetate 9.8
    transcutol 81.02
    n-heptanol 4.46
    ethylbenzene 3.95
    MIBK 12.91
    2-propoxyethanol 29.56
    tert-butanol 7.69
    MTBE 4.2
    2-butoxyethanol 20.4
    propionic acid 11.0
    o-xylene 4.79
    formic acid 16.64
    diethyl ether 3.89
    m-xylene 3.7
    p-xylene 5.45
    chlorobenzene 13.66
    dimethyl carbonate 14.75
    n-octane 0.08
    formamide 38.02
    cyclopentanone 50.04
    2-pentanone 17.41
    anisole 12.84
    cyclopentyl methyl ether 8.86
    gamma-butyrolactone 45.6
    1-methoxy-2-propanol 27.55
    pyridine 41.73
    3-pentanone 13.85
    furfural 60.96
    n-dodecane 0.15
    diethylene glycol 32.7
    diisopropyl ether 1.11
    tert-amyl alcohol 8.07
    acetylacetone 30.7
    n-hexadecane 0.18
    acetophenone 22.97
    methyl propionate 15.13
    isopentyl acetate 12.03
    trichloroethylene 67.31
    n-nonanol 3.43
    cyclohexanol 7.36
    benzyl alcohol 19.95
    2-ethylhexanol 4.18
    isooctanol 4.25
    dipropyl ether 2.35
    1,2-dichlorobenzene 14.69
    ethyl lactate 13.9
    propylene carbonate 23.82
    n-methylformamide 25.31
    2-pentanol 3.78
    n-pentane 0.06
    1-propoxy-2-propanol 16.23
    1-methoxy-2-propyl acetate 19.17
    2-(2-methoxypropoxy) propanol 26.0
    mesitylene 2.02
    ε-caprolactone 33.98
    p-cymene 2.75
    epichlorohydrin 76.25
    1,1,1-trichloroethane 11.45
    2-aminoethanol 6.38
    morpholine-4-carbaldehyde 67.96
    sulfolane 66.22
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 18.66
    n-hexyl acetate 11.28
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 32.65
    sec-butyl acetate 8.18
    tert-butyl acetate 11.82
    decalin 0.32
    glycerin 13.3
    diglyme 59.23
    acrylic acid 15.08
    isopropyl myristate 5.31
    n-butyric acid 15.49
    acetyl acetate 11.19
    di(2-ethylhexyl) phthalate 11.34
    ethyl propionate 10.4
    nitromethane 54.6
    1,2-diethoxyethane 16.56
    benzonitrile 24.8
    trioctyl phosphate 6.33
    1-bromopropane 5.59
    gamma-valerolactone 74.13
    n-decanol 2.81
    triethyl phosphate 8.46
    4-methyl-2-pentanol 3.66
    propionitrile 14.13
    vinylene carbonate 26.39
    1,1,2-trichlorotrifluoroethane 52.45
    DMS 19.06
    cumene 2.73
    2-octanol 2.7
    2-hexanone 15.79
    octyl acetate 7.27
    limonene 2.91
    1,2-dimethoxyethane 45.52
    ethyl orthosilicate 7.22
    tributyl phosphate 7.63
    diacetone alcohol 26.0
    N,N-dimethylaniline 8.98
    acrylonitrile 27.78
    aniline 15.42
    1,3-propanediol 13.3
    bromobenzene 11.16
    dibromomethane 15.66
    1,1,2,2-tetrachloroethane 41.32
    2-methyl-cyclohexyl acetate 11.49
    tetrabutyl urea 13.11
    diisobutyl methanol 2.82
    2-phenylethanol 18.15
    styrene 4.96
    dioctyl adipate 11.21
    dimethyl sulfate 28.05
    ethyl butyrate 8.99
    methyl lactate 19.31
    butyl lactate 12.64
    diethyl carbonate 8.19
    propanediol butyl ether 14.09
    triethyl orthoformate 8.49
    p-tert-butyltoluene 2.23
    methyl 4-tert-butylbenzoate 19.93
    morpholine 33.26
    tert-butylamine 2.64
    n-dodecanol 2.26
    dimethoxymethane 31.02
    ethylene carbonate 20.65
    cyrene 35.5
    2-ethoxyethyl acetate 20.02
    2-ethylhexyl acetate 8.88
    1,2,4-trichlorobenzene 19.84
    4-methylpyridine 32.8
    dibutyl ether 3.52
    2,6-dimethyl-4-heptanol 2.82
    DEF 25.62
    dimethyl isosorbide 43.13
    tetrachloroethylene 22.35
    eugenol 26.55
    triacetin 19.86
    span 80 17.13
    1,4-butanediol 7.19
    1,1-dichloroethane 13.18
    2-methyl-1-pentanol 9.7
    methyl formate 21.08
    2-methyl-1-butanol 7.25
    n-decane 0.18
    butyronitrile 12.53
    3,7-dimethyl-1-octanol 4.17
    1-chlorooctane 1.47
    1-chlorotetradecane 0.87
    n-nonane 0.13
    undecane 0.16
    tert-butylcyclohexane 0.21
    cyclooctane 0.06
    cyclopentanol 8.14
    tetrahydropyran 12.53
    tert-amyl methyl ether 4.78
    2,5,8-trioxanonane 47.72
    1-hexene 0.82
    2-isopropoxyethanol 21.04
    2,2,2-trifluoroethanol 13.71
    methyl butyrate 15.11

    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