tert-Butyl peroxyacetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    107-71-1

    Molecular formula
    C6H12O3

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

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fruity 79.0%
    Ethereal 49.81%
    Fermented 32.65%
    Sweet 30.99%
    Mint 27.67%
    Pungent 27.35%
    Fresh 26.98%
    Buttery 26.54%
    Sharp 25.87%
    Caramellic 25.33%

    Scent© AI

  • Properties

    XLogP3-AA
    1.1

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    120°C

    Flash point est.
    25.25 ˚C

  • Synonyms

    • tert-Butyl peroxyacetate
    • 107-71-1
    • tert-Butyl peracetate
    • t-Butyl peracetate
    • tert-butyl ethaneperoxoate
    • Lupersol 70
    • Trigonox F-C50
    • t-Butyl peroxyacetate
    • ETHANEPEROXOIC ACID, 1,1-DIMETHYLETHYL ESTER
    • Peroxyacetic acid, tert-butyl ester
    • UNII-FJ3F3S50CS
    • FJ3F3S50CS
    • EINECS 203-514-5
    • NSC 118417
    • BRN 1701510
    • NSC-118417
    • 4-02-00-00391 (Beilstein Handbook Reference)
    • BUTYL PERACETATE, TERT-
    • DTXSID9029142
    • ACETYL TERT-BUTYL PEROXIDE
    • BUTYL PEROXYACETATE, TERT. (TERT-BUTYL\PERACETATE)
    • BUTYL PEROXYACETATE, TERT. {TERT-BUTYL\PERACETATE}
    • tbutyl peracetate
    • tbutyl peroxyacetate
    • tertbutyl peracetate
    • Trigonox FC50
    • KAYABUTYL A
    • PERBUTYL A
    • Acetyl tertbutyl peroxide
    • Butyl peroxyacetate, tert
    • KAYABUTYL A 50T
    • TRIGONOX F-C 50
    • SCHEMBL24499
    • DTXCID109142
    • Peroxyacetic acid, tertbutyl ester
    • Ethaneperoxoic acid tert-butyl ester
    • NSC118417
    • UN3101
    • AKOS015892841
    • WLN: 1X1 & 1 & OOV1
    • Ethaneperoxoic acid,1-dimethylethyl ester
    • DB-040779
    • Ethaneperoxoic acid, 1,1dimethylethyl ester
    • NS00019635
    • Q27278013

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 143.93
    methanol 221.22
    isopropanol 159.33
    water 9.85
    ethyl acetate 232.42
    n-propanol 133.5
    acetone 331.35
    n-butanol 137.41
    acetonitrile 194.79
    DMF 623.05
    toluene 142.32
    isobutanol 132.28
    1,4-dioxane 315.62
    methyl acetate 314.44
    THF 361.64
    2-butanone 301.94
    n-pentanol 104.85
    sec-butanol 169.82
    n-hexane 76.01
    ethylene glycol 85.09
    NMP 680.2
    cyclohexane 65.29
    DMSO 319.56
    n-butyl acetate 193.08
    n-octanol 171.85
    chloroform 539.59
    n-propyl acetate 154.14
    acetic acid 158.62
    dichloromethane 422.22
    cyclohexanone 361.11
    propylene glycol 118.49
    isopropyl acetate 171.97
    DMAc 819.27
    2-ethoxyethanol 162.62
    isopentanol 141.83
    n-heptane 51.11
    ethyl formate 189.19
    1,2-dichloroethane 254.16
    n-hexanol 163.83
    2-methoxyethanol 297.69
    isobutyl acetate 119.57
    tetrachloromethane 115.54
    n-pentyl acetate 138.86
    transcutol 413.95
    n-heptanol 91.89
    ethylbenzene 146.32
    MIBK 181.72
    2-propoxyethanol 253.86
    tert-butanol 253.79
    MTBE 277.23
    2-butoxyethanol 149.45
    propionic acid 174.44
    o-xylene 183.23
    formic acid 85.29
    diethyl ether 161.97
    m-xylene 149.04
    p-xylene 209.68
    chlorobenzene 168.14
    dimethyl carbonate 146.92
    n-octane 33.77
    formamide 87.34
    cyclopentanone 360.99
    2-pentanone 215.12
    anisole 246.21
    cyclopentyl methyl ether 224.42
    gamma-butyrolactone 394.41
    1-methoxy-2-propanol 277.96
    pyridine 206.42
    3-pentanone 224.55
    furfural 440.29
    n-dodecane 35.86
    diethylene glycol 204.52
    diisopropyl ether 93.77
    tert-amyl alcohol 248.35
    acetylacetone 336.21
    n-hexadecane 39.53
    acetophenone 282.29
    methyl propionate 242.35
    isopentyl acetate 197.25
    trichloroethylene 497.28
    n-nonanol 145.26
    cyclohexanol 181.31
    benzyl alcohol 156.34
    2-ethylhexanol 135.19
    isooctanol 83.29
    dipropyl ether 135.4
    1,2-dichlorobenzene 225.89
    ethyl lactate 139.21
    propylene carbonate 312.14
    n-methylformamide 209.4
    2-pentanol 121.53
    n-pentane 53.49
    1-propoxy-2-propanol 226.9
    1-methoxy-2-propyl acetate 245.02
    2-(2-methoxypropoxy) propanol 272.69
    mesitylene 125.75
    ε-caprolactone 353.0
    p-cymene 119.6
    epichlorohydrin 346.81
    1,1,1-trichloroethane 343.2
    2-aminoethanol 113.18
    morpholine-4-carbaldehyde 600.09
    sulfolane 520.2
    2,2,4-trimethylpentane 50.95
    2-methyltetrahydrofuran 306.4
    n-hexyl acetate 269.09
    isooctane 34.24
    2-(2-butoxyethoxy)ethanol 242.23
    sec-butyl acetate 134.8
    tert-butyl acetate 233.02
    decalin 67.78
    glycerin 168.15
    diglyme 429.14
    acrylic acid 170.03
    isopropyl myristate 130.44
    n-butyric acid 182.3
    acetyl acetate 204.56
    di(2-ethylhexyl) phthalate 134.92
    ethyl propionate 190.54
    nitromethane 361.3
    1,2-diethoxyethane 178.16
    benzonitrile 200.64
    trioctyl phosphate 97.91
    1-bromopropane 189.38
    gamma-valerolactone 509.53
    n-decanol 115.02
    triethyl phosphate 137.64
    4-methyl-2-pentanol 101.36
    propionitrile 163.47
    vinylene carbonate 314.93
    1,1,2-trichlorotrifluoroethane 380.86
    DMS 272.58
    cumene 127.37
    2-octanol 95.24
    2-hexanone 192.54
    octyl acetate 161.18
    limonene 155.1
    1,2-dimethoxyethane 382.71
    ethyl orthosilicate 127.44
    tributyl phosphate 130.51
    diacetone alcohol 266.22
    N,N-dimethylaniline 252.6
    acrylonitrile 206.34
    aniline 129.62
    1,3-propanediol 135.33
    bromobenzene 181.46
    dibromomethane 281.34
    1,1,2,2-tetrachloroethane 498.39
    2-methyl-cyclohexyl acetate 193.47
    tetrabutyl urea 184.55
    diisobutyl methanol 98.07
    2-phenylethanol 174.14
    styrene 146.81
    dioctyl adipate 183.54
    dimethyl sulfate 301.61
    ethyl butyrate 171.92
    methyl lactate 192.0
    butyl lactate 140.39
    diethyl carbonate 144.99
    propanediol butyl ether 210.49
    triethyl orthoformate 137.03
    p-tert-butyltoluene 127.06
    methyl 4-tert-butylbenzoate 260.22
    morpholine 293.14
    tert-butylamine 179.34
    n-dodecanol 97.4
    dimethoxymethane 307.42
    ethylene carbonate 231.15
    cyrene 266.38
    2-ethoxyethyl acetate 167.7
    2-ethylhexyl acetate 170.55
    1,2,4-trichlorobenzene 285.81
    4-methylpyridine 299.06
    dibutyl ether 165.24
    2,6-dimethyl-4-heptanol 98.07
    DEF 339.27
    dimethyl isosorbide 413.14
    tetrachloroethylene 307.61
    eugenol 250.49
    triacetin 308.84
    span 80 227.35
    1,4-butanediol 76.91
    1,1-dichloroethane 294.04
    2-methyl-1-pentanol 118.3
    methyl formate 212.9
    2-methyl-1-butanol 142.88
    n-decane 52.43
    butyronitrile 152.72
    3,7-dimethyl-1-octanol 181.29
    1-chlorooctane 139.34
    1-chlorotetradecane 70.91
    n-nonane 54.48
    undecane 42.09
    tert-butylcyclohexane 72.27
    cyclooctane 40.33
    cyclopentanol 172.84
    tetrahydropyran 230.34
    tert-amyl methyl ether 261.33
    2,5,8-trioxanonane 353.03
    1-hexene 129.93
    2-isopropoxyethanol 140.41
    2,2,2-trifluoroethanol 108.31
    methyl butyrate 238.09

    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