3,5-Di(propan-2-yl)phenyl hydroperoxide

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  • Identifiers

    CAS number
    19239-63-5

    Molecular formula
    C12H18O2

    SMILES
    CC(C)C1=CC(=CC(=C1)OO)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 52.35%
    Woody 49.9%
    Herbal 48.77%
    Phenolic 41.65%
    Leathery 36.18%
    Green 34.62%
    Earthy 31.88%
    Dry 28.97%
    Animal 27.92%
    Vetiver 27.01%

     

    Flavor
    Woody 44.89%
    Herbal 36.08%
    Spice 34.41%
    Spicy 30.51%
    Camphor 27.22%
    Musty 25.97%
    Bitter 22.74%
    Thymol 22.41%
    Medicinal 22.08%
    Creosote 22.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    9.25 (weak base)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    237°C

    Flash point

    • 106.68 ˚C est.

  • Synonyms

    • DTXSID00892265
    • 3,5-Di(propan-2-yl)phenyl hydroperoxide
    • 19239-63-5
    • RefChem:271522
    • DTXCID001079349
    • 26762-93-6
    • SCHEMBL9951855
    • LQRLKPVYXRVAPK-UHFFFAOYSA-N
    • Hydroperoxide, bis(1-methylethyl)phenyl
    • 3,5-Di(propan-2-yl)benzene-1-peroxol
    • 1-hydroperoxy-3,5-di(propan-2-yl)benzene
    • 26762-93-6

  • Applications

    3,5-Di(propan-2-yl)phenyl hydroperoxide (CAS 19239-63-5) is an organic hydroperoxide primarily used as a free-radical initiator in polymerization and crosslinking of resins, plastics, and coatings. It is also employed as an intermediate for the synthesis of specialty chemicals and aromatic hydroperoxide derivatives. In the coatings, paints, and adhesive industries, it acts as an initiator for thermal or UV curing processes to help control cure kinetics and final film properties. Additionally, it serves as an industrial manufacturing intermediate and participates in the research and development of new polymer systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 379.42
    methanol 181.12
    isopropanol 416.66
    water 0.23
    ethyl acetate 753.95
    n-propanol 437.85
    acetone 1203.85
    n-butanol 385.43
    acetonitrile 610.77
    DMF 1806.49
    toluene 454.37
    isobutanol 355.16
    1,4-dioxane 990.67
    methyl acetate 943.35
    THF 1853.63
    2-butanone 1323.55
    n-pentanol 229.19
    sec-butanol 420.26
    n-hexane 49.74
    ethylene glycol 63.25
    NMP 1161.26
    cyclohexane 120.5
    DMSO 775.34
    n-butyl acetate 578.42
    n-octanol 149.54
    chloroform 1775.87
    n-propyl acetate 434.97
    acetic acid 242.86
    dichloromethane 1974.64
    cyclohexanone 1489.59
    propylene glycol 151.9
    isopropyl acetate 383.8
    DMAc 1073.03
    2-ethoxyethanol 278.37
    isopentanol 300.77
    n-heptane 52.34
    ethyl formate 578.12
    1,2-dichloroethane 1264.48
    n-hexanol 350.15
    2-methoxyethanol 525.27
    isobutyl acetate 254.78
    tetrachloromethane 221.52
    n-pentyl acetate 270.25
    transcutol 456.74
    n-heptanol 143.59
    ethylbenzene 271.39
    MIBK 363.6
    2-propoxyethanol 444.7
    tert-butanol 482.9
    MTBE 489.26
    2-butoxyethanol 231.75
    propionic acid 370.66
    o-xylene 289.0
    formic acid 43.68
    diethyl ether 417.34
    m-xylene 284.63
    p-xylene 332.94
    chlorobenzene 614.15
    dimethyl carbonate 253.75
    n-octane 29.15
    formamide 143.6
    cyclopentanone 2057.04
    2-pentanone 825.81
    anisole 456.61
    cyclopentyl methyl ether 567.45
    gamma-butyrolactone 1747.26
    1-methoxy-2-propanol 487.77
    pyridine 1141.07
    3-pentanone 641.2
    furfural 1146.88
    n-dodecane 25.29
    diethylene glycol 237.49
    diisopropyl ether 116.11
    tert-amyl alcohol 415.3
    acetylacetone 799.24
    n-hexadecane 29.6
    acetophenone 456.58
    methyl propionate 694.36
    isopentyl acetate 473.08
    trichloroethylene 2231.8
    n-nonanol 137.38
    cyclohexanol 412.17
    benzyl alcohol 330.8
    2-ethylhexanol 233.04
    isooctanol 124.98
    dipropyl ether 259.26
    1,2-dichlorobenzene 508.09
    ethyl lactate 187.74
    propylene carbonate 899.22
    n-methylformamide 603.31
    2-pentanol 261.35
    n-pentane 50.76
    1-propoxy-2-propanol 360.42
    1-methoxy-2-propyl acetate 457.88
    2-(2-methoxypropoxy) propanol 232.32
    mesitylene 161.68
    ε-caprolactone 1036.78
    p-cymene 175.78
    epichlorohydrin 1805.07
    1,1,1-trichloroethane 1102.17
    2-aminoethanol 157.71
    morpholine-4-carbaldehyde 918.46
    sulfolane 1405.69
    2,2,4-trimethylpentane 31.56
    2-methyltetrahydrofuran 1152.72
    n-hexyl acetate 353.12
    isooctane 24.66
    2-(2-butoxyethoxy)ethanol 267.2
    sec-butyl acetate 272.38
    tert-butyl acetate 360.05
    decalin 65.28
    glycerin 139.69
    diglyme 496.6
    acrylic acid 276.19
    isopropyl myristate 151.37
    n-butyric acid 506.56
    acetyl acetate 386.3
    di(2-ethylhexyl) phthalate 139.43
    ethyl propionate 408.14
    nitromethane 824.94
    1,2-diethoxyethane 327.11
    benzonitrile 511.38
    trioctyl phosphate 110.1
    1-bromopropane 725.9
    gamma-valerolactone 1677.6
    n-decanol 110.75
    triethyl phosphate 167.91
    4-methyl-2-pentanol 149.18
    propionitrile 599.04
    vinylene carbonate 740.76
    1,1,2-trichlorotrifluoroethane 612.89
    DMS 329.02
    cumene 168.92
    2-octanol 122.17
    2-hexanone 505.33
    octyl acetate 202.03
    limonene 243.14
    1,2-dimethoxyethane 671.95
    ethyl orthosilicate 143.25
    tributyl phosphate 122.63
    diacetone alcohol 434.98
    N,N-dimethylaniline 262.86
    acrylonitrile 730.91
    aniline 428.4
    1,3-propanediol 263.71
    bromobenzene 665.87
    dibromomethane 1248.92
    1,1,2,2-tetrachloroethane 1548.6
    2-methyl-cyclohexyl acetate 294.63
    tetrabutyl urea 176.93
    diisobutyl methanol 137.1
    2-phenylethanol 353.1
    styrene 305.51
    dioctyl adipate 223.58
    dimethyl sulfate 387.65
    ethyl butyrate 404.65
    methyl lactate 258.0
    butyl lactate 193.4
    diethyl carbonate 278.88
    propanediol butyl ether 201.92
    triethyl orthoformate 213.56
    p-tert-butyltoluene 175.13
    methyl 4-tert-butylbenzoate 313.26
    morpholine 1111.49
    tert-butylamine 275.96
    n-dodecanol 93.21
    dimethoxymethane 632.07
    ethylene carbonate 614.16
    cyrene 324.39
    2-ethoxyethyl acetate 344.86
    2-ethylhexyl acetate 373.29
    1,2,4-trichlorobenzene 587.9
    4-methylpyridine 1073.57
    dibutyl ether 194.26
    2,6-dimethyl-4-heptanol 137.1
    DEF 746.18
    dimethyl isosorbide 491.95
    tetrachloroethylene 749.37
    eugenol 268.41
    triacetin 286.15
    span 80 231.64
    1,4-butanediol 112.93
    1,1-dichloroethane 1291.52
    2-methyl-1-pentanol 226.07
    methyl formate 522.99
    2-methyl-1-butanol 301.36
    n-decane 37.23
    butyronitrile 619.08
    3,7-dimethyl-1-octanol 161.26
    1-chlorooctane 143.36
    1-chlorotetradecane 69.18
    n-nonane 36.03
    undecane 29.84
    tert-butylcyclohexane 57.37
    cyclooctane 39.17
    cyclopentanol 528.94
    tetrahydropyran 1073.08
    tert-amyl methyl ether 341.06
    2,5,8-trioxanonane 344.09
    1-hexene 200.03
    2-isopropoxyethanol 222.59
    2,2,2-trifluoroethanol 109.64
    methyl butyrate 602.11

    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