2-Methyl-5-(prop-1-en-2-yl)cyclohex-1-ene-1-peroxol

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  • Identifiers

    CAS number
    94268-57-2

    Molecular formula
    C10H16O2

    SMILES
    CC1=C(CC(CC1)C(=C)C)OO

  • Odor profile

    Fragrance
    Herbal 75.25%
    Mint 66.88%
    Sweet 57.2%
    Spicy 54.33%
    Fresh 46.95%
    Citrus 45.52%
    Woody 44.89%
    Fruity 42.21%
    Camphoreous 42.15%
    Cooling 37.41%

     

    Flavor
    Herbal 47.86%
    Minty 46.16%
    Spicy 38.14%
    Fresh 36.51%
    Mint 35.04%
    Spice 32.85%
    Woody 32.16%
    Floral 27.88%
    Herb 26.97%
    Sweet 22.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.33 (weak base)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    231°C

    Flash point

    • 92.93 ˚C est.

  • Synonyms

    • 94268-57-2
    • 2-Methyl-5-(prop-1-en-2-yl)cyclohex-1-ene-1-peroxol
    • DTXSID00849335
    • (E)-p-mentha-6,8-dien-2-hydroperoxide

  • Applications

    Chemical name: 2-Methyl-5-(prop-1-en-2-yl)cyclohex-1-ene-1-peroxol; CAS number: 94268-57-2 is a cyclic peroxide used primarily as a free-radical initiator for polymerization and crosslinking. In practice, typical applications include: polymer/plastics as an initiator or crosslinking agent for synthetic resins; coatings, inks and adhesives to promote curing and improve film strength and adhesion; epoxy and unsaturated polyester resin systems as a curing/initiating agent; electronics encapsulation/potting to accelerate cure of resin systems; and as an organic synthesis intermediate for preparing other peroxide-containing compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 636.15
    methanol 408.29
    isopropanol 591.46
    water 0.38
    ethyl acetate 1082.2
    n-propanol 520.26
    acetone 724.0
    n-butanol 511.03
    acetonitrile 949.78
    DMF 793.67
    toluene 403.43
    isobutanol 328.04
    1,4-dioxane 1950.5
    methyl acetate 882.2
    THF 1579.03
    2-butanone 805.25
    n-pentanol 247.26
    sec-butanol 409.13
    n-hexane 9.29
    ethylene glycol 60.02
    NMP 463.42
    cyclohexane 37.55
    DMSO 474.76
    n-butyl acetate 655.03
    n-octanol 131.95
    chloroform 1672.07
    n-propyl acetate 423.6
    acetic acid 413.31
    dichloromethane 1616.2
    cyclohexanone 910.93
    propylene glycol 112.7
    isopropyl acetate 454.34
    DMAc 527.55
    2-ethoxyethanol 410.85
    isopentanol 418.8
    n-heptane 13.66
    ethyl formate 639.36
    1,2-dichloroethane 893.85
    n-hexanol 358.68
    2-methoxyethanol 838.01
    isobutyl acetate 210.31
    tetrachloromethane 171.93
    n-pentyl acetate 243.24
    transcutol 2057.23
    n-heptanol 126.55
    ethylbenzene 183.09
    MIBK 319.85
    2-propoxyethanol 641.06
    tert-butanol 674.79
    MTBE 473.98
    2-butoxyethanol 294.09
    propionic acid 345.82
    o-xylene 215.88
    formic acid 130.54
    diethyl ether 530.73
    m-xylene 246.75
    p-xylene 256.2
    chlorobenzene 514.69
    dimethyl carbonate 181.08
    n-octane 6.44
    formamide 327.2
    cyclopentanone 910.94
    2-pentanone 602.31
    anisole 465.84
    cyclopentyl methyl ether 427.15
    gamma-butyrolactone 1079.51
    1-methoxy-2-propanol 640.32
    pyridine 1143.08
    3-pentanone 358.74
    furfural 1020.95
    n-dodecane 7.18
    diethylene glycol 362.44
    diisopropyl ether 116.46
    tert-amyl alcohol 396.16
    acetylacetone 654.66
    n-hexadecane 8.78
    acetophenone 359.25
    methyl propionate 500.5
    isopentyl acetate 513.15
    trichloroethylene 1816.62
    n-nonanol 120.05
    cyclohexanol 358.13
    benzyl alcohol 324.02
    2-ethylhexanol 202.68
    isooctanol 107.85
    dipropyl ether 211.39
    1,2-dichlorobenzene 404.21
    ethyl lactate 157.65
    propylene carbonate 638.14
    n-methylformamide 477.15
    2-pentanol 283.22
    n-pentane 13.79
    1-propoxy-2-propanol 457.2
    1-methoxy-2-propyl acetate 569.59
    2-(2-methoxypropoxy) propanol 346.38
    mesitylene 136.82
    ε-caprolactone 822.21
    p-cymene 123.38
    epichlorohydrin 1569.3
    1,1,1-trichloroethane 859.56
    2-aminoethanol 188.35
    morpholine-4-carbaldehyde 902.54
    sulfolane 620.35
    2,2,4-trimethylpentane 12.41
    2-methyltetrahydrofuran 1036.36
    n-hexyl acetate 338.39
    isooctane 12.88
    2-(2-butoxyethoxy)ethanol 518.5
    sec-butyl acetate 278.9
    tert-butyl acetate 405.82
    decalin 22.45
    glycerin 147.35
    diglyme 1016.53
    acrylic acid 240.74
    isopropyl myristate 129.85
    n-butyric acid 682.65
    acetyl acetate 477.45
    di(2-ethylhexyl) phthalate 130.87
    ethyl propionate 373.94
    nitromethane 1086.9
    1,2-diethoxyethane 625.16
    benzonitrile 586.53
    trioctyl phosphate 81.97
    1-bromopropane 427.7
    gamma-valerolactone 1377.78
    n-decanol 90.84
    triethyl phosphate 142.83
    4-methyl-2-pentanol 167.74
    propionitrile 636.88
    vinylene carbonate 624.42
    1,1,2-trichlorotrifluoroethane 554.38
    DMS 304.75
    cumene 115.23
    2-octanol 86.47
    2-hexanone 356.15
    octyl acetate 163.18
    limonene 162.79
    1,2-dimethoxyethane 906.0
    ethyl orthosilicate 133.42
    tributyl phosphate 116.57
    diacetone alcohol 450.76
    N,N-dimethylaniline 215.61
    acrylonitrile 739.03
    aniline 474.22
    1,3-propanediol 386.36
    bromobenzene 519.92
    dibromomethane 924.23
    1,1,2,2-tetrachloroethane 1120.19
    2-methyl-cyclohexyl acetate 251.75
    tetrabutyl urea 138.23
    diisobutyl methanol 122.93
    2-phenylethanol 355.82
    styrene 239.59
    dioctyl adipate 193.67
    dimethyl sulfate 201.7
    ethyl butyrate 420.95
    methyl lactate 195.49
    butyl lactate 183.46
    diethyl carbonate 274.3
    propanediol butyl ether 261.79
    triethyl orthoformate 233.16
    p-tert-butyltoluene 122.92
    methyl 4-tert-butylbenzoate 266.72
    morpholine 1972.93
    tert-butylamine 345.87
    n-dodecanol 68.74
    dimethoxymethane 578.72
    ethylene carbonate 518.73
    cyrene 266.87
    2-ethoxyethyl acetate 443.57
    2-ethylhexyl acetate 363.09
    1,2,4-trichlorobenzene 498.5
    4-methylpyridine 1039.49
    dibutyl ether 200.51
    2,6-dimethyl-4-heptanol 122.93
    DEF 532.4
    dimethyl isosorbide 626.84
    tetrachloroethylene 602.05
    eugenol 266.4
    triacetin 329.48
    span 80 258.46
    1,4-butanediol 99.96
    1,1-dichloroethane 969.82
    2-methyl-1-pentanol 233.3
    methyl formate 387.83
    2-methyl-1-butanol 320.83
    n-decane 11.52
    butyronitrile 756.78
    3,7-dimethyl-1-octanol 168.87
    1-chlorooctane 80.17
    1-chlorotetradecane 31.49
    n-nonane 9.5
    undecane 8.93
    tert-butylcyclohexane 22.06
    cyclooctane 9.94
    cyclopentanol 367.42
    tetrahydropyran 1247.62
    tert-amyl methyl ether 258.28
    2,5,8-trioxanonane 644.55
    1-hexene 84.13
    2-isopropoxyethanol 271.56
    2,2,2-trifluoroethanol 130.89
    methyl butyrate 497.39

    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