tert-Butyl peroxybenzoate

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  • Identifiers

    CAS number
    614-45-9

    Molecular formula
    C11H14O3

    SMILES
    CC(C)(C)OOC(=O)C1=CC=CC=C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 53.95%
    Sweet 49.43%
    Fruity 48.14%
    Balsamic 39.63%
    Herbal 38.98%
    Honey 37.46%
    Green 33.84%
    Powdery 32.01%
    Rose 30.75%
    Dry 27.9%

     

    Flavor
    Fruity 73.05%
    Sweet 71.11%
    Herbal 46.91%
    Floral 46.76%
    Bitter 43.14%
    Balsam 38.03%
    Berry 30.67%
    Musty 29.73%
    Powdery 29.42%
    Fruit 28.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.29 (neutral)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 46 °F (NTP, 1992)
    • 8 °C

    Boiling point

    • 234 °F at 760 mmHg (NTP, 1992)
    • 112 °C (decomposes)
    • BP: 75 °C at 0.2 mm Hg

    Flash point

    • 85.6 ˚C est.
    • 200 °F (NTP, 1992)
    • 93.4 °C (200.1 °F) - closed cup
    • >190 °F (>88 °C) - open cup

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Insoluble in water
    • Soluble in alcohols, esters, ethers, ketones

  • Synonyms

    • tert-Butyl peroxybenzoate
    • 614-45-9
    • tert-Butyl perbenzoate
    • tert-butyl benzenecarboperoxoate
    • t-Butyl perbenzoate
    • Chaloxyd tbpb
    • Novox
    • Perbutyl Z
    • Esperox 10
    • tert-Butyl peroxy benzoate
    • t-Butyl peroxybenzoate
    • t-Butyl peroxy benzoate
    • Benzenecarboperoxoic acid, 1,1-dimethylethyl ester
    • Terc.butylperbenzoan
    • Benzoyl tert-butyl peroxide
    • Peroxybenzoic acid, tert-butyl ester
    • CCRIS 6217
    • HSDB 2891
    • NSC 674
    • EINECS 210-382-2
    • BRN 1342734
    • Perbenzoate de butyle tertiaire
    • PEROXYBENZOIC ACID, T-BUTYL ESTER
    • DTXSID9024699
    • UNII-54E39145KT
    • AI3-06625
    • NSC-674
    • t-butyl benzoyl peroxide
    • DTXCID904699
    • EC 210-382-2
    • BUTYL PEROXYBENZOATE, TERT-
    • 4-09-00-00715 (Beilstein Handbook Reference)
    • 54E39145KT
    • benzenecarboperoxoic acid tert-butyl ester
    • Trigonox C
    • PEROXYBENZOIC ACID, T-BUTYL ESTER [HSDB]
    • tert-butylperoxybenzoate
    • terc.Butylperbenzoan [Czech]
    • CAS-614-45-9
    • Perbenzoic acid, tert-butyl ester
    • TERT-BUTYL PEROXYBENZOATE, (TECHNICALLY PURE)
    • TERT-BUTYL PEROXYBENZOATE, [TECHNICALLY PURE]
    • TERT-BUTYL PEROXYBENZOATE, (<= 75% IN SOLUTION)
    • TERT-BUTYL PEROXYBENZOATE, [<= 75% IN SOLUTION]
    • Butyl Perbenzoate (tertiary)
    • Perbenzoate de butyle tertiaire [French]
    • t-butylperbenzoate
    • tbutyl perbenzoate
    • terc.Butylester kyseliny peroxybenzoove [Czech]
    • tertbutyl perbenzoate
    • t-butyl per benzoate
    • t-butyl-peroxybenzoate
    • terc.Butylester kyseliny peroxybenzoove
    • tert-butyl-perbenzoate
    • tert.butyl perbenzoate
    • tButyl peroxy benzoate
    • tertbutyl peroxybenzoate
    • tert. butyl perbenzoate
    • tert-butyl benzoperoxoate
    • tertButyl peroxy benzoate
    • tertiary butyl perbenzoate
    • Benzoyl tertbutyl peroxide
    • tert-butyl peroxy-benzoate
    • SCHEMBL22820
    • WLN: 1X1&1&OOVR
    • NSC674
    • CHEMBL1328092
    • Perbenzoic acid, tertbutyl ester
    • peroxybenzoic acid t-butyl ester
    • Peroxybenzoic acid, tertbutyl ester
    • AAA61445
    • Tox21_202287
    • Tox21_300070
    • UN3103
    • AKOS015890015
    • PERBENZOIC ACID, T-BUTYL ESTER
    • T-BUTYL BENZOYL PEROXIDE [INCI]
    • NCGC00091791-01
    • NCGC00091791-02
    • NCGC00091791-03
    • NCGC00091791-04
    • NCGC00254006-01
    • NCGC00259836-01
    • AS-87585
    • NS00003416
    • Benzenecarboperoxoic acid,1-dimethylethyl ester
    • EN300-129025
    • Luperox(R) P, tert-Butyl peroxybenzoate, 98%
    • Benzenecarboperoxoic acid, 1,1dimethylethyl ester
    • doi:10.14272/GJBRNHKUVLOCEB-UHFFFAOYSA-N.1
    • Q14469782
    • tert-Butyl peroxybenzoate, technical, >=95.0% (RT)

  • Applications

    tert-Butyl peroxybenzoate (CAS 614-45-9) is a thermally activated organic peroxide widely used as a free-radical initiator in polymerization and curing chemistries. It is commonly employed in industrial manufacturing as an initiator for vinyl monomer polymerization and for curing unsaturated polyester resins and acrylate-based systems. In coatings, inks, and adhesives formulations, TBPB initiates rapid free-radical polymerization to promote fast cure and film formation. It can also serve as a crosslinking initiator in resin formulations and is chosen as an alternative to more volatile initiators depending on processing conditions. Use is typically governed by processing temperature and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 389.34
    methanol 423.69
    isopropanol 284.03
    water 0.63
    ethyl acetate 370.16
    n-propanol 288.08
    acetone 487.41
    n-butanol 329.37
    acetonitrile 340.67
    DMF 948.35
    toluene 339.3
    isobutanol 242.0
    1,4-dioxane 578.39
    methyl acetate 412.79
    THF 737.76
    2-butanone 476.51
    n-pentanol 252.31
    sec-butanol 295.47
    n-hexane 93.87
    ethylene glycol 65.15
    NMP 627.62
    cyclohexane 111.43
    DMSO 373.48
    n-butyl acetate 410.92
    n-octanol 226.87
    chloroform 1136.71
    n-propyl acetate 269.55
    acetic acid 323.67
    dichloromethane 833.91
    cyclohexanone 564.73
    propylene glycol 107.14
    isopropyl acetate 264.32
    DMAc 822.02
    2-ethoxyethanol 341.89
    isopentanol 336.28
    n-heptane 57.34
    ethyl formate 306.38
    1,2-dichloroethane 576.21
    n-hexanol 348.22
    2-methoxyethanol 534.08
    isobutyl acetate 188.23
    tetrachloromethane 87.54
    n-pentyl acetate 197.77
    transcutol 1024.58
    n-heptanol 160.19
    ethylbenzene 324.5
    MIBK 289.37
    2-propoxyethanol 513.51
    tert-butanol 373.92
    MTBE 384.31
    2-butoxyethanol 271.32
    propionic acid 209.55
    o-xylene 238.72
    formic acid 121.0
    diethyl ether 316.15
    m-xylene 255.85
    p-xylene 354.92
    chlorobenzene 393.11
    dimethyl carbonate 185.94
    n-octane 33.48
    formamide 190.91
    cyclopentanone 568.51
    2-pentanone 405.78
    anisole 480.67
    cyclopentyl methyl ether 356.22
    gamma-butyrolactone 543.78
    1-methoxy-2-propanol 428.31
    pyridine 567.81
    3-pentanone 300.38
    furfural 605.1
    n-dodecane 31.99
    diethylene glycol 341.44
    diisopropyl ether 122.9
    tert-amyl alcohol 363.17
    acetylacetone 433.72
    n-hexadecane 35.3
    acetophenone 421.07
    methyl propionate 322.54
    isopentyl acetate 384.42
    trichloroethylene 1112.99
    n-nonanol 202.96
    cyclohexanol 291.77
    benzyl alcohol 308.18
    2-ethylhexanol 249.95
    isooctanol 133.34
    dipropyl ether 220.13
    1,2-dichlorobenzene 390.89
    ethyl lactate 179.81
    propylene carbonate 414.83
    n-methylformamide 341.77
    2-pentanol 247.89
    n-pentane 64.74
    1-propoxy-2-propanol 371.0
    1-methoxy-2-propyl acetate 385.72
    2-(2-methoxypropoxy) propanol 383.1
    mesitylene 159.18
    ε-caprolactone 488.54
    p-cymene 154.77
    epichlorohydrin 741.21
    1,1,1-trichloroethane 486.67
    2-aminoethanol 148.07
    morpholine-4-carbaldehyde 732.61
    sulfolane 471.91
    2,2,4-trimethylpentane 45.52
    2-methyltetrahydrofuran 556.62
    n-hexyl acetate 377.14
    isooctane 33.4
    2-(2-butoxyethoxy)ethanol 460.67
    sec-butyl acetate 220.9
    tert-butyl acetate 319.91
    decalin 84.22
    glycerin 132.39
    diglyme 717.12
    acrylic acid 197.14
    isopropyl myristate 165.88
    n-butyric acid 350.45
    acetyl acetate 252.55
    di(2-ethylhexyl) phthalate 155.7
    ethyl propionate 283.47
    nitromethane 564.84
    1,2-diethoxyethane 379.52
    benzonitrile 404.21
    trioctyl phosphate 111.08
    1-bromopropane 374.72
    gamma-valerolactone 741.04
    n-decanol 153.28
    triethyl phosphate 158.37
    4-methyl-2-pentanol 186.69
    propionitrile 315.36
    vinylene carbonate 401.79
    1,1,2-trichlorotrifluoroethane 464.73
    DMS 317.26
    cumene 202.55
    2-octanol 128.0
    2-hexanone 338.27
    octyl acetate 209.92
    limonene 205.64
    1,2-dimethoxyethane 695.08
    ethyl orthosilicate 148.83
    tributyl phosphate 151.28
    diacetone alcohol 383.48
    N,N-dimethylaniline 364.59
    acrylonitrile 381.3
    aniline 270.44
    1,3-propanediol 250.96
    bromobenzene 419.61
    dibromomethane 606.18
    1,1,2,2-tetrachloroethane 969.89
    2-methyl-cyclohexyl acetate 267.44
    tetrabutyl urea 212.57
    diisobutyl methanol 140.47
    2-phenylethanol 344.74
    styrene 349.22
    dioctyl adipate 220.54
    dimethyl sulfate 223.39
    ethyl butyrate 290.71
    methyl lactate 192.6
    butyl lactate 206.44
    diethyl carbonate 223.42
    propanediol butyl ether 304.57
    triethyl orthoformate 203.11
    p-tert-butyltoluene 148.39
    methyl 4-tert-butylbenzoate 308.47
    morpholine 643.68
    tert-butylamine 255.77
    n-dodecanol 120.5
    dimethoxymethane 479.57
    ethylene carbonate 317.3
    cyrene 277.31
    2-ethoxyethyl acetate 281.44
    2-ethylhexyl acetate 305.46
    1,2,4-trichlorobenzene 437.13
    4-methylpyridine 700.85
    dibutyl ether 257.97
    2,6-dimethyl-4-heptanol 140.47
    DEF 489.92
    dimethyl isosorbide 516.92
    tetrachloroethylene 493.83
    eugenol 322.15
    triacetin 328.96
    span 80 313.22
    1,4-butanediol 116.08
    1,1-dichloroethane 556.97
    2-methyl-1-pentanol 280.68
    methyl formate 294.24
    2-methyl-1-butanol 296.32
    n-decane 49.0
    butyronitrile 379.32
    3,7-dimethyl-1-octanol 254.92
    1-chlorooctane 177.58
    1-chlorotetradecane 80.17
    n-nonane 48.36
    undecane 38.06
    tert-butylcyclohexane 77.95
    cyclooctane 45.93
    cyclopentanol 244.03
    tetrahydropyran 534.93
    tert-amyl methyl ether 350.54
    2,5,8-trioxanonane 552.5
    1-hexene 262.13
    2-isopropoxyethanol 259.69
    2,2,2-trifluoroethanol 113.08
    methyl butyrate 395.93

    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