Isobutyloxirane

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  • Identifiers

    CAS number
    23850-78-4

    Molecular formula
    C6H12O

    SMILES
    CC(C)CC1CO1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 68.2%
    Fruity 50.27%
    Sweet 43.45%
    Ethereal 42.55%
    Fermented 40.61%
    Fresh 40.52%
    Cocoa 37.04%
    Alcoholic 31.34%
    Malty 31.04%
    Mint 28.95%

     

    Flavor
    Green 53.72%
    Herbal 29.05%
    Minty 27.96%
    Vegetable 26.0%
    Metallic 25.6%
    Spice 25.09%
    Earthy 24.71%
    Tropical 24.17%
    Fresh 24.08%
    Roasted 23.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.18 (neutral)

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    113°C

    Flash point

    • 13.35 ˚C est.

  • Synonyms

    • Isobutyloxirane
    • 2-(2-methylpropyl)oxirane
    • EINECS 245-911-6
    • DTXSID101318790
    • NSC 92739
    • RefChem:791670
    • DTXCID301742478
    • 245-911-6
    • 23850-78-4
    • 2-Isobutyloxirane
    • Oxirane,2-(2-methylpropyl)-
    • Oxirane, (2-methylpropyl)-
    • 1,2-Epoxy-4-methylpentane
    • Pentane, 1,2-epoxy-4-methyl-
    • 4-methyl-1,2-epoxypentane
    • 2-isobutyl-oxirane
    • NSC92739
    • 4-methyl-epoxypentane
    • 4-methyl-1-pentene oxide
    • Pentane,2-epoxy-4-methyl-
    • SCHEMBL51487
    • SCHEMBL501039
    • SCHEMBL2802351
    • SCHEMBL18092738
    • NSC-92739
    • AKOS012069026
    • DA-07801
    • NS00050423
    • EN300-116804
    • G57786
    • Z1020679872
    • 23850-78-4

  • Applications

    Isobutyloxirane (CAS 23850-78-4) is primarily used as an intermediate to produce epoxy resins and related glycidyl ethers. It also serves as a reactive diluent to lower viscosity in epoxy formulations, facilitating processing of coatings, adhesives, and electronics encapsulation. As an epoxy monomer with a glycidyl group, it is employed in polymer synthesis to introduce glycidyl functionality and the isobutyl substituent into resins and coatings. Typical industrial applications include coatings and inks, adhesives, electronics potting/encapsulation, and advanced polymer or composite resin systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 721.02
    methanol 723.46
    isopropanol 438.74
    water 0.85
    ethyl acetate 253.67
    n-propanol 452.49
    acetone 347.06
    n-butanol 427.49
    acetonitrile 269.91
    DMF 163.99
    toluene 86.81
    isobutanol 282.37
    1,4-dioxane 504.88
    methyl acetate 228.24
    THF 878.03
    2-butanone 249.47
    n-pentanol 239.03
    sec-butanol 293.41
    n-hexane 103.79
    ethylene glycol 128.66
    NMP 236.11
    cyclohexane 164.61
    DMSO 247.46
    n-butyl acetate 387.18
    n-octanol 153.9
    chloroform 795.48
    n-propyl acetate 183.26
    acetic acid 692.32
    dichloromethane 568.64
    cyclohexanone 403.59
    propylene glycol 184.57
    isopropyl acetate 158.64
    DMAc 123.86
    2-ethoxyethanol 259.96
    isopentanol 279.59
    n-heptane 127.31
    ethyl formate 179.25
    1,2-dichloroethane 299.08
    n-hexanol 494.87
    2-methoxyethanol 426.94
    isobutyl acetate 131.97
    tetrachloromethane 164.56
    n-pentyl acetate 154.44
    transcutol 817.09
    n-heptanol 157.42
    ethylbenzene 52.17
    MIBK 141.29
    2-propoxyethanol 534.0
    tert-butanol 386.65
    MTBE 250.73
    2-butoxyethanol 235.16
    propionic acid 323.15
    o-xylene 60.66
    formic acid 176.29
    diethyl ether 340.57
    m-xylene 66.15
    p-xylene 69.5
    chlorobenzene 167.23
    dimethyl carbonate 51.59
    n-octane 31.45
    formamide 128.34
    cyclopentanone 418.83
    2-pentanone 230.76
    anisole 113.98
    cyclopentyl methyl ether 316.95
    gamma-butyrolactone 432.07
    1-methoxy-2-propanol 280.58
    pyridine 294.77
    3-pentanone 146.67
    furfural 329.4
    n-dodecane 21.94
    diethylene glycol 356.66
    diisopropyl ether 102.08
    tert-amyl alcohol 246.18
    acetylacetone 191.7
    n-hexadecane 24.29
    acetophenone 101.19
    methyl propionate 143.05
    isopentyl acetate 296.07
    trichloroethylene 510.5
    n-nonanol 132.73
    cyclohexanol 321.2
    benzyl alcohol 108.16
    2-ethylhexanol 248.65
    isooctanol 117.73
    dipropyl ether 300.72
    1,2-dichlorobenzene 144.08
    ethyl lactate 85.16
    propylene carbonate 265.36
    n-methylformamide 150.13
    2-pentanol 235.6
    n-pentane 106.57
    1-propoxy-2-propanol 399.7
    1-methoxy-2-propyl acetate 248.13
    2-(2-methoxypropoxy) propanol 187.07
    mesitylene 51.08
    ε-caprolactone 338.1
    p-cymene 74.55
    epichlorohydrin 425.57
    1,1,1-trichloroethane 316.52
    2-aminoethanol 238.94
    morpholine-4-carbaldehyde 277.57
    sulfolane 381.36
    2,2,4-trimethylpentane 38.38
    2-methyltetrahydrofuran 543.19
    n-hexyl acetate 230.83
    isooctane 38.34
    2-(2-butoxyethoxy)ethanol 283.93
    sec-butyl acetate 118.3
    tert-butyl acetate 177.07
    decalin 46.06
    glycerin 194.46
    diglyme 413.93
    acrylic acid 254.5
    isopropyl myristate 94.04
    n-butyric acid 447.86
    acetyl acetate 169.79
    di(2-ethylhexyl) phthalate 85.01
    ethyl propionate 119.63
    nitromethane 399.33
    1,2-diethoxyethane 295.21
    benzonitrile 161.62
    trioctyl phosphate 67.3
    1-bromopropane 271.6
    gamma-valerolactone 438.24
    n-decanol 96.94
    triethyl phosphate 86.44
    4-methyl-2-pentanol 125.69
    propionitrile 228.42
    vinylene carbonate 209.79
    1,1,2-trichlorotrifluoroethane 322.88
    DMS 130.95
    cumene 46.49
    2-octanol 96.86
    2-hexanone 192.5
    octyl acetate 115.15
    limonene 137.24
    1,2-dimethoxyethane 324.48
    ethyl orthosilicate 90.53
    tributyl phosphate 91.18
    diacetone alcohol 189.66
    N,N-dimethylaniline 67.98
    acrylonitrile 199.83
    aniline 133.75
    1,3-propanediol 325.55
    bromobenzene 166.69
    dibromomethane 434.32
    1,1,2,2-tetrachloroethane 395.07
    2-methyl-cyclohexyl acetate 175.03
    tetrabutyl urea 93.9
    diisobutyl methanol 136.57
    2-phenylethanol 172.23
    styrene 65.27
    dioctyl adipate 120.48
    dimethyl sulfate 62.49
    ethyl butyrate 205.51
    methyl lactate 89.39
    butyl lactate 133.72
    diethyl carbonate 122.45
    propanediol butyl ether 220.64
    triethyl orthoformate 153.99
    p-tert-butyltoluene 72.95
    methyl 4-tert-butylbenzoate 113.55
    morpholine 533.59
    tert-butylamine 275.31
    n-dodecanol 74.62
    dimethoxymethane 160.76
    ethylene carbonate 193.65
    cyrene 128.1
    2-ethoxyethyl acetate 183.07
    2-ethylhexyl acetate 229.76
    1,2,4-trichlorobenzene 176.16
    4-methylpyridine 207.3
    dibutyl ether 194.82
    2,6-dimethyl-4-heptanol 136.57
    DEF 162.31
    dimethyl isosorbide 271.51
    tetrachloroethylene 292.14
    eugenol 114.81
    triacetin 168.06
    span 80 202.2
    1,4-butanediol 133.73
    1,1-dichloroethane 345.47
    2-methyl-1-pentanol 168.57
    methyl formate 116.26
    2-methyl-1-butanol 236.08
    n-decane 38.24
    butyronitrile 297.32
    3,7-dimethyl-1-octanol 157.53
    1-chlorooctane 112.22
    1-chlorotetradecane 46.92
    n-nonane 40.12
    undecane 27.39
    tert-butylcyclohexane 45.76
    cyclooctane 49.03
    cyclopentanol 350.1
    tetrahydropyran 607.76
    tert-amyl methyl ether 161.68
    2,5,8-trioxanonane 265.5
    1-hexene 192.56
    2-isopropoxyethanol 188.45
    2,2,2-trifluoroethanol 149.67
    methyl butyrate 161.08

    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