Vinyl isobutyrate

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  • Identifiers

    CAS number
    2424-98-8

    Molecular formula
    C6H10O2

    SMILES
    CC(C)C(=O)OC=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 96.77%
    Green 63.09%
    Apple 59.55%
    Ethereal 58.37%
    Pineapple 50.84%
    Tropical 49.78%
    Rummy 47.74%
    Sweet 45.66%
    Pungent 42.35%
    Sharp 41.57%

     

    Flavor
    Fruity 63.38%
    Pungent 32.65%
    Cheese 30.99%
    Tropical 28.34%
    Berry 27.27%
    Butter 27.0%
    Strawberry 26.43%
    Floral 25.15%
    Sweet 24.85%
    Buttery 21.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.44 (neutral)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    108°C

    Flash point

    • 16.0 ˚C est.

  • Synonyms

    • Vinyl isobutyrate
    • Ethenyl 2-methylpropanoate
    • 2424-98-8
    • EINECS 219-362-8
    • Propanoic acid, 2-methyl-, ethenyl ester
    • DTXSID40178934
    • vinyl isobutanoate
    • 6U2ADY47FD
    • Isobutyric acid, vinyl ester
    • SCHEMBL93534
    • DTXCID00101425
    • WNMORWGTPVWAIB-UHFFFAOYSA-N
    • ISOBUTYRIC ACID VINYL ESTER
    • AKOS006274673
    • NS00027599
    • 219-362-8

  • Applications

    Vinyl isobutyrate (CAS 2424-98-8) is primarily used as a vinyl monomer for polymerization to form poly(vinyl isobutyrate) and copolymers that serve as resins for coatings, protective paints, and adhesives, as well as for printing inks. With the isobutyrate ester group, it is commonly incorporated into plastic resin systems to improve mechanical properties and durability of coatings and may be employed in UV-curable or solvent-borne formulations. It also serves as an intermediate in the synthesis of specialty polymers and can act as a reactive monomer in adhesive and sealant applications. Its use is subject to local regulations and formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 384.45
    methanol 572.14
    isopropanol 371.46
    water 4.54
    ethyl acetate 588.09
    n-propanol 343.88
    acetone 883.36
    n-butanol 355.79
    acetonitrile 621.04
    DMF 1030.4
    toluene 267.05
    isobutanol 332.8
    1,4-dioxane 681.19
    methyl acetate 687.52
    THF 874.35
    2-butanone 784.9
    n-pentanol 360.7
    sec-butanol 443.55
    n-hexane 155.6
    ethylene glycol 111.64
    NMP 1141.94
    cyclohexane 116.57
    DMSO 749.39
    n-butyl acetate 573.35
    n-octanol 311.11
    chloroform 1332.61
    n-propyl acetate 522.18
    acetic acid 560.06
    dichloromethane 1233.95
    cyclohexanone 899.81
    propylene glycol 153.88
    isopropyl acetate 395.17
    DMAc 1058.7
    2-ethoxyethanol 460.77
    isopentanol 378.81
    n-heptane 75.1
    ethyl formate 444.55
    1,2-dichloroethane 739.22
    n-hexanol 379.05
    2-methoxyethanol 546.53
    isobutyl acetate 345.8
    tetrachloromethane 280.12
    n-pentyl acetate 396.72
    transcutol 1025.48
    n-heptanol 229.38
    ethylbenzene 272.46
    MIBK 397.32
    2-propoxyethanol 518.5
    tert-butanol 562.05
    MTBE 633.79
    2-butoxyethanol 339.81
    propionic acid 474.61
    o-xylene 283.32
    formic acid 185.98
    diethyl ether 468.6
    m-xylene 259.51
    p-xylene 418.31
    chlorobenzene 499.32
    dimethyl carbonate 246.39
    n-octane 52.26
    formamide 216.92
    cyclopentanone 1070.88
    2-pentanone 592.39
    anisole 479.41
    cyclopentyl methyl ether 484.83
    gamma-butyrolactone 1116.64
    1-methoxy-2-propanol 455.65
    pyridine 580.92
    3-pentanone 532.94
    furfural 992.65
    n-dodecane 48.49
    diethylene glycol 332.03
    diisopropyl ether 209.29
    tert-amyl alcohol 634.79
    acetylacetone 694.09
    n-hexadecane 53.65
    acetophenone 547.39
    methyl propionate 490.63
    isopentyl acetate 520.3
    trichloroethylene 1448.29
    n-nonanol 251.9
    cyclohexanol 386.41
    benzyl alcohol 368.62
    2-ethylhexanol 298.25
    isooctanol 208.48
    dipropyl ether 293.16
    1,2-dichlorobenzene 536.45
    ethyl lactate 255.02
    propylene carbonate 732.77
    n-methylformamide 448.78
    2-pentanol 336.66
    n-pentane 99.88
    1-propoxy-2-propanol 404.64
    1-methoxy-2-propyl acetate 428.47
    2-(2-methoxypropoxy) propanol 397.56
    mesitylene 212.33
    ε-caprolactone 782.9
    p-cymene 193.13
    epichlorohydrin 969.5
    1,1,1-trichloroethane 891.72
    2-aminoethanol 185.29
    morpholine-4-carbaldehyde 897.51
    sulfolane 1295.85
    2,2,4-trimethylpentane 100.83
    2-methyltetrahydrofuran 852.14
    n-hexyl acetate 598.98
    isooctane 66.54
    2-(2-butoxyethoxy)ethanol 457.28
    sec-butyl acetate 365.42
    tert-butyl acetate 481.18
    decalin 110.9
    glycerin 192.59
    diglyme 796.86
    acrylic acid 448.4
    isopropyl myristate 225.33
    n-butyric acid 531.35
    acetyl acetate 430.32
    di(2-ethylhexyl) phthalate 221.06
    ethyl propionate 459.55
    nitromethane 1002.86
    1,2-diethoxyethane 491.17
    benzonitrile 564.77
    trioctyl phosphate 173.2
    1-bromopropane 509.45
    gamma-valerolactone 1072.84
    n-decanol 190.67
    triethyl phosphate 230.88
    4-methyl-2-pentanol 228.94
    propionitrile 481.64
    vinylene carbonate 676.1
    1,1,2-trichlorotrifluoroethane 684.6
    DMS 453.29
    cumene 225.36
    2-octanol 224.63
    2-hexanone 587.77
    octyl acetate 294.91
    limonene 255.36
    1,2-dimethoxyethane 847.67
    ethyl orthosilicate 224.21
    tributyl phosphate 240.17
    diacetone alcohol 463.99
    N,N-dimethylaniline 403.21
    acrylonitrile 624.83
    aniline 305.99
    1,3-propanediol 274.55
    bromobenzene 568.45
    dibromomethane 855.17
    1,1,2,2-tetrachloroethane 1142.51
    2-methyl-cyclohexyl acetate 361.5
    tetrabutyl urea 284.88
    diisobutyl methanol 191.62
    2-phenylethanol 334.11
    styrene 325.83
    dioctyl adipate 318.49
    dimethyl sulfate 446.38
    ethyl butyrate 419.44
    methyl lactate 256.65
    butyl lactate 313.43
    diethyl carbonate 317.2
    propanediol butyl ether 371.1
    triethyl orthoformate 276.53
    p-tert-butyltoluene 187.28
    methyl 4-tert-butylbenzoate 394.51
    morpholine 686.24
    tert-butylamine 391.75
    n-dodecanol 150.22
    dimethoxymethane 495.4
    ethylene carbonate 529.88
    cyrene 378.77
    2-ethoxyethyl acetate 453.09
    2-ethylhexyl acetate 425.41
    1,2,4-trichlorobenzene 627.32
    4-methylpyridine 769.8
    dibutyl ether 347.44
    2,6-dimethyl-4-heptanol 191.62
    DEF 719.48
    dimethyl isosorbide 644.7
    tetrachloroethylene 775.41
    eugenol 387.12
    triacetin 498.93
    span 80 341.07
    1,4-butanediol 192.3
    1,1-dichloroethane 841.52
    2-methyl-1-pentanol 417.38
    methyl formate 437.09
    2-methyl-1-butanol 393.39
    n-decane 74.7
    butyronitrile 504.35
    3,7-dimethyl-1-octanol 304.94
    1-chlorooctane 250.21
    1-chlorotetradecane 106.79
    n-nonane 78.46
    undecane 57.93
    tert-butylcyclohexane 126.9
    cyclooctane 54.77
    cyclopentanol 438.75
    tetrahydropyran 661.93
    tert-amyl methyl ether 552.8
    2,5,8-trioxanonane 554.34
    1-hexene 370.4
    2-isopropoxyethanol 386.59
    2,2,2-trifluoroethanol 231.34
    methyl butyrate 642.53

    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

Botanical

Name CAS Botanical Proportion
Myrtle leaf (Morocco) 4 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Myrtle leaf (Tunisia) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.07%
Myrtle leaf (Yugoslavia) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.12%
Myrtle leaf (Lebanon) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.09%
Myrtle leaf (France) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%