3-Methyl-3-butenoic acid

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  • Identifiers

    CAS number
    1617-31-8

    Molecular formula
    C5H8O2

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fruity 62.76%
    Green 45.1%
    Caramellic 43.24%
    Sweet 41.19%
    Sour 40.54%
    Cheesy 39.29%
    Pungent 35.73%
    Sharp 35.07%
    Spicy 31.74%
    Burnt 31.71%

     

    Flavor
    Acidic 30.68%
    Sharp 28.88%
    Sour 28.51%
    Pungent 28.09%
    Phenolic 26.99%
    Odorless 26.73%
    Green 24.27%
    Cheese 22.91%
    Mousy 22.58%
    Soy 21.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.53 (weak base)

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    181°C

    Flash point

    • 75.29 ˚C est.

  • Synonyms

    • 3-methylbut-3-enoic acid
    • 1617-31-8
    • 3-Methyl-3-butenoic acid
    • 3-Butenoic acid, 3-methyl-
    • 3-Methylvinylacetic acid
    • Butanoic acid, 3-methylene-
    • R0Z725B1UA
    • DTXSID001313242
    • RefChem:503774
    • DTXCID601743063
    • 838-020-4
    • Isopropenylacetic acid
    • MFCD09038392
    • 3-methylbut-3-enoicacid
    • 3-methyl-but-3-enoic acid
    • UNII-R0Z725B1UA
    • SCHEMBL75359
    • CH2=C(CH3)CH2COOH
    • SCHEMBL981065
    • SCHEMBL2018416
    • SCHEMBL6197261
    • SCHEMBL10917209
    • CHEBI:178220
    • IGRURXZWJCSNKU-UHFFFAOYSA-N
    • LMFA01020110
    • AKOS000192127
    • CS-0222727
    • EN300-112366
    • F87165
    • Z295890066
    • 1617-31-8

  • Applications

    3-Methyl-3-butenoic acid (CAS 1617-31-8) is a reactive unsaturated carboxylic acid used as a building block in organic synthesis and polymer chemistry; in industrial manufacturing it functions as a monomer or comonomer for acrylic and specialty polymers, enabling crosslinking and network formation in coatings and adhesives; it is commonly converted to esters and amide derivatives that serve as functional intermediates for specialty chemicals and resin formulations; it can be employed to prepare derivative monomers for coatings, inks, and plastics, and may play a role as a reactive precursor in electronics-related polymer materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 482.39
    methanol 743.23
    isopropanol 337.15
    water 153.19
    ethyl acetate 125.35
    n-propanol 326.91
    acetone 257.72
    n-butanol 252.77
    acetonitrile 154.89
    DMF 515.89
    toluene 8.73
    isobutanol 195.09
    1,4-dioxane 197.49
    methyl acetate 138.73
    THF 424.19
    2-butanone 148.04
    n-pentanol 153.84
    sec-butanol 223.03
    n-hexane 9.47
    ethylene glycol 316.61
    NMP 357.57
    cyclohexane 3.34
    DMSO 292.57
    n-butyl acetate 66.98
    n-octanol 110.24
    chloroform 20.13
    n-propyl acetate 79.56
    acetic acid 592.28
    dichloromethane 18.95
    cyclohexanone 124.61
    propylene glycol 363.3
    isopropyl acetate 79.11
    DMAc 295.61
    2-ethoxyethanol 304.47
    isopentanol 167.23
    n-heptane 9.32
    ethyl formate 122.65
    1,2-dichloroethane 21.69
    n-hexanol 200.57
    2-methoxyethanol 623.88
    isobutyl acetate 47.24
    tetrachloromethane 5.56
    n-pentyl acetate 55.02
    transcutol 515.63
    n-heptanol 90.39
    ethylbenzene 7.83
    MIBK 95.08
    2-propoxyethanol 368.04
    tert-butanol 347.89
    MTBE 92.07
    2-butoxyethanol 163.77
    propionic acid 287.14
    o-xylene 11.45
    formic acid 425.33
    diethyl ether 84.02
    m-xylene 15.14
    p-xylene 10.73
    chlorobenzene 10.99
    dimethyl carbonate 72.17
    n-octane 3.94
    formamide 292.81
    cyclopentanone 205.94
    2-pentanone 147.33
    anisole 46.09
    cyclopentyl methyl ether 131.23
    gamma-butyrolactone 322.93
    1-methoxy-2-propanol 515.73
    pyridine 47.71
    3-pentanone 75.52
    furfural 187.13
    n-dodecane 4.72
    diethylene glycol 359.43
    diisopropyl ether 27.64
    tert-amyl alcohol 216.85
    acetylacetone 148.72
    n-hexadecane 4.85
    acetophenone 49.87
    methyl propionate 131.98
    isopentyl acetate 56.62
    trichloroethylene 34.24
    n-nonanol 95.58
    cyclohexanol 118.64
    benzyl alcohol 56.48
    2-ethylhexanol 75.84
    isooctanol 64.26
    dipropyl ether 65.49
    1,2-dichlorobenzene 12.94
    ethyl lactate 91.12
    propylene carbonate 148.05
    n-methylformamide 328.9
    2-pentanol 166.86
    n-pentane 8.96
    1-propoxy-2-propanol 234.26
    1-methoxy-2-propyl acetate 108.73
    2-(2-methoxypropoxy) propanol 174.79
    mesitylene 12.22
    ε-caprolactone 140.49
    p-cymene 13.4
    epichlorohydrin 174.23
    1,1,1-trichloroethane 18.79
    2-aminoethanol 415.93
    morpholine-4-carbaldehyde 354.43
    sulfolane 276.65
    2,2,4-trimethylpentane 6.31
    2-methyltetrahydrofuran 197.82
    n-hexyl acetate 111.25
    isooctane 6.62
    2-(2-butoxyethoxy)ethanol 281.13
    sec-butyl acetate 47.57
    tert-butyl acetate 102.75
    decalin 4.14
    glycerin 442.41
    diglyme 275.42
    acrylic acid 252.58
    isopropyl myristate 45.92
    n-butyric acid 256.49
    acetyl acetate 71.09
    di(2-ethylhexyl) phthalate 51.71
    ethyl propionate 81.08
    nitromethane 502.25
    1,2-diethoxyethane 85.86
    benzonitrile 38.84
    trioctyl phosphate 47.47
    1-bromopropane 14.98
    gamma-valerolactone 328.21
    n-decanol 71.78
    triethyl phosphate 32.77
    4-methyl-2-pentanol 93.32
    propionitrile 92.63
    vinylene carbonate 114.06
    1,1,2-trichlorotrifluoroethane 162.94
    DMS 69.64
    cumene 10.75
    2-octanol 61.16
    2-hexanone 87.91
    octyl acetate 68.99
    limonene 21.53
    1,2-dimethoxyethane 266.28
    ethyl orthosilicate 31.7
    tributyl phosphate 51.86
    diacetone alcohol 223.12
    N,N-dimethylaniline 39.07
    acrylonitrile 115.92
    aniline 35.59
    1,3-propanediol 407.59
    bromobenzene 5.64
    dibromomethane 12.22
    1,1,2,2-tetrachloroethane 31.97
    2-methyl-cyclohexyl acetate 52.59
    tetrabutyl urea 73.73
    diisobutyl methanol 41.72
    2-phenylethanol 72.85
    styrene 7.31
    dioctyl adipate 66.59
    dimethyl sulfate 102.51
    ethyl butyrate 56.4
    methyl lactate 154.7
    butyl lactate 79.93
    diethyl carbonate 37.36
    propanediol butyl ether 225.68
    triethyl orthoformate 42.77
    p-tert-butyltoluene 14.84
    methyl 4-tert-butylbenzoate 93.68
    morpholine 281.52
    tert-butylamine 143.97
    n-dodecanol 53.52
    dimethoxymethane 261.16
    ethylene carbonate 91.45
    cyrene 145.04
    2-ethoxyethyl acetate 82.01
    2-ethylhexyl acetate 38.04
    1,2,4-trichlorobenzene 18.73
    4-methylpyridine 51.24
    dibutyl ether 51.71
    2,6-dimethyl-4-heptanol 41.72
    DEF 145.97
    dimethyl isosorbide 224.56
    tetrachloroethylene 21.64
    eugenol 109.13
    triacetin 107.48
    span 80 179.93
    1,4-butanediol 177.62
    1,1-dichloroethane 21.65
    2-methyl-1-pentanol 102.1
    methyl formate 242.97
    2-methyl-1-butanol 159.65
    n-decane 6.99
    butyronitrile 90.05
    3,7-dimethyl-1-octanol 81.58
    1-chlorooctane 26.21
    1-chlorotetradecane 12.83
    n-nonane 6.4
    undecane 5.65
    tert-butylcyclohexane 6.83
    cyclooctane 2.07
    cyclopentanol 188.45
    tetrahydropyran 121.35
    tert-amyl methyl ether 80.29
    2,5,8-trioxanonane 235.49
    1-hexene 25.17
    2-isopropoxyethanol 177.84
    2,2,2-trifluoroethanol 187.99
    methyl butyrate 98.21

    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