Isobutylene oxide

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  • Identifiers

    CAS number
    558-30-5

    Molecular formula
    C4H8O

    SMILES
    CC1(CO1)C

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Mint 61.5%
    Camphoreous 60.35%
    Ethereal 57.03%
    Sweet 49.91%
    Solvent 48.15%
    Musty 44.63%
    Fresh 42.69%
    Woody 40.88%
    Herbal 37.38%
    Earthy 35.74%

     

    Flavor
    Green 48.68%
    Earthy 44.78%
    Herbal 33.62%
    Camphor 30.4%
    Vegetable 28.7%
    Pungent 27.71%
    Sweet 24.64%
    Blackberry 21.27%
    Woody 20.42%
    Potato 19.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    5.46 (weak acid)

    Molecular weight
    72.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    38°C

    Flash point

    • -23.62 ˚C est.

    Solubility expt.

    • 58 mg/mL at 20 °C

  • Synonyms

    • Isobutylene oxide
    • 558-30-5
    • Isobutene oxide
    • 1,2-Epoxyisobutane
    • Isobutylene epoxide
    • Isobutyleneoxide
    • Oxirane, 2,2-dimethyl-
    • 2-Methyl-1,2-epoxypropane
    • 1,2-Isobutylene oxide
    • 1,1-Dimethylethylene oxide
    • 2-Methyl-1-propene oxide
    • Propane, 1,2-epoxy-2-methyl-
    • UJ14MJ1WG0
    • NSC-24249
    • CCRIS-4380
    • DTXSID7060330
    • RefChem:149112
    • 2-MEP
    • DTXCID6041971
    • 209-193-8
    • 2,2-DIMETHYLOXIRANE
    • 1,2-Epoxy-2-methylpropane
    • 1,1-Dimethyloxirane
    • 1,2-Epoxy-isobutane
    • 2,2-Dimethyl-oxirane
    • 2-Methylpropylene Oxide
    • MFCD00066354
    • NSC 24249
    • 1,2-epoxy-2-methyl-propane
    • 25068-10-4
    • CCRIS 4380
    • EINECS 209-193-8
    • BRN 0102408
    • isobutylenoxide
    • 2,2-dimethyloxiran
    • Oxirane,2-dimethyl-
    • 2, 2-dimethyloxirane
    • 2,2-dimethyl oxirane
    • 1, 2-Isobutylene oxide
    • UNII-UJ14MJ1WG0
    • EC 209-193-8
    • Propane,2-epoxy-2-methyl-
    • SCHEMBL50056
    • 1, 1-Dimethylethylene oxide
    • 5-17-01-00058 (Beilstein Handbook Reference)
    • 2-Methyl-1, 2-epoxypropane
    • SCHEMBL194870
    • SCHEMBL2710428
    • SCHEMBL2783664
    • SCHEMBL3581755
    • SCHEMBL3581756
    • SCHEMBL8824317
    • 2-METHYL-1-PROPENOXIDE
    • SCHEMBL20504484
    • GELKGHVAFRCJNA-UHFFFAOYSA-
    • CHEBI:193943
    • 1,2-Epoxy-2-methylpropane, 8CI
    • NSC24249
    • 1,2-Epoxy-2-methylpropane, 97%
    • AKOS009157227
    • FI75926
    • METHYL-1,2-EPOXYPROPANE, 2-
    • DB-016263
    • I0323
    • NS00001765
    • EN300-36458
    • 1,2-Epoxy-2-methylpropane; 2,2-Dimethyloxirane
    • A830830
    • ETHYLENE OXIDE, .ALPHA.,.ALPHA.-DIMETHYL-
    • F150500
    • F0001-4298
    • InChI=1/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3
    • 558-30-5

  • Applications

    Isobutylene oxide (CAS 558-30-5) is an epoxide primarily used as an industrial intermediate for producing polyether polyols for polyurethane formulations and foams; it also serves as a reactive monomer for epoxy resin systems and for synthesizing glycidyl derivatives and other specialty chemicals. In industrial manufacturing, it can be used as a reactive solvent or process intermediate in chemical syntheses and to prepare surfactant-related glycidyl ethers. Additionally, epoxy resin systems derived from epoxides can find use in coatings and adhesives, and in high-performance electronics materials where epoxy resins provide protective coatings and encapsulants.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 283.69
    methanol 347.41
    isopropanol 218.52
    water 20.55
    ethyl acetate 119.72
    n-propanol 207.92
    acetone 132.49
    n-butanol 171.4
    acetonitrile 139.34
    DMF 171.9
    toluene 48.22
    isobutanol 142.27
    1,4-dioxane 189.49
    methyl acetate 148.64
    THF 204.75
    2-butanone 135.51
    n-pentanol 105.96
    sec-butanol 190.61
    n-hexane 51.24
    ethylene glycol 177.81
    NMP 184.82
    cyclohexane 50.23
    DMSO 101.44
    n-butyl acetate 91.23
    n-octanol 116.97
    chloroform 304.07
    n-propyl acetate 70.49
    acetic acid 285.15
    dichloromethane 175.87
    cyclohexanone 119.06
    propylene glycol 238.68
    isopropyl acetate 78.92
    DMAc 209.28
    2-ethoxyethanol 171.08
    isopentanol 114.93
    n-heptane 54.23
    ethyl formate 73.45
    1,2-dichloroethane 85.19
    n-hexanol 167.85
    2-methoxyethanol 272.42
    isobutyl acetate 54.14
    tetrachloromethane 87.59
    n-pentyl acetate 63.66
    transcutol 356.46
    n-heptanol 94.35
    ethylbenzene 35.19
    MIBK 62.85
    2-propoxyethanol 264.32
    tert-butanol 212.91
    MTBE 135.88
    2-butoxyethanol 149.3
    propionic acid 209.64
    o-xylene 48.19
    formic acid 159.66
    diethyl ether 133.38
    m-xylene 42.86
    p-xylene 43.87
    chlorobenzene 57.64
    dimethyl carbonate 61.21
    n-octane 21.44
    formamide 128.72
    cyclopentanone 138.82
    2-pentanone 97.24
    anisole 77.27
    cyclopentyl methyl ether 113.82
    gamma-butyrolactone 152.19
    1-methoxy-2-propanol 227.01
    pyridine 117.77
    3-pentanone 94.15
    furfural 130.59
    n-dodecane 19.83
    diethylene glycol 227.36
    diisopropyl ether 56.6
    tert-amyl alcohol 191.61
    acetylacetone 88.36
    n-hexadecane 20.26
    acetophenone 66.7
    methyl propionate 119.7
    isopentyl acetate 79.89
    trichloroethylene 163.8
    n-nonanol 103.29
    cyclohexanol 133.02
    benzyl alcohol 69.28
    2-ethylhexanol 96.08
    isooctanol 67.81
    dipropyl ether 109.56
    1,2-dichlorobenzene 56.65
    ethyl lactate 75.5
    propylene carbonate 96.77
    n-methylformamide 129.18
    2-pentanol 129.33
    n-pentane 56.22
    1-propoxy-2-propanol 203.91
    1-methoxy-2-propyl acetate 118.34
    2-(2-methoxypropoxy) propanol 145.07
    mesitylene 30.63
    ε-caprolactone 125.3
    p-cymene 42.27
    epichlorohydrin 131.86
    1,1,1-trichloroethane 127.66
    2-aminoethanol 251.3
    morpholine-4-carbaldehyde 187.88
    sulfolane 133.3
    2,2,4-trimethylpentane 29.97
    2-methyltetrahydrofuran 166.99
    n-hexyl acetate 114.88
    isooctane 21.16
    2-(2-butoxyethoxy)ethanol 179.74
    sec-butyl acetate 59.3
    tert-butyl acetate 83.75
    decalin 26.26
    glycerin 258.43
    diglyme 229.18
    acrylic acid 189.4
    isopropyl myristate 54.05
    n-butyric acid 157.34
    acetyl acetate 90.01
    di(2-ethylhexyl) phthalate 52.18
    ethyl propionate 80.71
    nitromethane 202.09
    1,2-diethoxyethane 112.33
    benzonitrile 64.42
    trioctyl phosphate 41.13
    1-bromopropane 81.91
    gamma-valerolactone 168.97
    n-decanol 77.74
    triethyl phosphate 51.41
    4-methyl-2-pentanol 75.98
    propionitrile 121.48
    vinylene carbonate 86.44
    1,1,2-trichlorotrifluoroethane 202.0
    DMS 88.92
    cumene 31.36
    2-octanol 66.93
    2-hexanone 70.27
    octyl acetate 74.05
    limonene 59.66
    1,2-dimethoxyethane 160.12
    ethyl orthosilicate 52.64
    tributyl phosphate 47.75
    diacetone alcohol 117.85
    N,N-dimethylaniline 61.0
    acrylonitrile 124.42
    aniline 87.35
    1,3-propanediol 198.22
    bromobenzene 50.62
    dibromomethane 133.58
    1,1,2,2-tetrachloroethane 156.97
    2-methyl-cyclohexyl acetate 73.43
    tetrabutyl urea 57.07
    diisobutyl methanol 57.82
    2-phenylethanol 88.33
    styrene 39.33
    dioctyl adipate 66.46
    dimethyl sulfate 71.78
    ethyl butyrate 76.8
    methyl lactate 113.36
    butyl lactate 78.12
    diethyl carbonate 60.94
    propanediol butyl ether 168.42
    triethyl orthoformate 70.78
    p-tert-butyltoluene 44.25
    methyl 4-tert-butylbenzoate 87.66
    morpholine 225.61
    tert-butylamine 162.36
    n-dodecanol 60.85
    dimethoxymethane 119.83
    ethylene carbonate 74.74
    cyrene 100.34
    2-ethoxyethyl acetate 84.25
    2-ethylhexyl acetate 68.21
    1,2,4-trichlorobenzene 76.19
    4-methylpyridine 93.71
    dibutyl ether 80.34
    2,6-dimethyl-4-heptanol 57.82
    DEF 120.0
    dimethyl isosorbide 146.03
    tetrachloroethylene 121.03
    eugenol 90.84
    triacetin 119.4
    span 80 145.62
    1,4-butanediol 101.46
    1,1-dichloroethane 131.2
    2-methyl-1-pentanol 82.52
    methyl formate 87.94
    2-methyl-1-butanol 125.62
    n-decane 29.81
    butyronitrile 96.13
    3,7-dimethyl-1-octanol 98.8
    1-chlorooctane 60.68
    1-chlorotetradecane 30.85
    n-nonane 29.78
    undecane 23.43
    tert-butylcyclohexane 28.09
    cyclooctane 23.85
    cyclopentanol 146.11
    tetrahydropyran 158.17
    tert-amyl methyl ether 120.68
    2,5,8-trioxanonane 172.3
    1-hexene 75.26
    2-isopropoxyethanol 133.35
    2,2,2-trifluoroethanol 133.84
    methyl butyrate 81.47

    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