2-Methyl-2,3-pentadienoic acid

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  • Identifiers

    CAS number
    56758-73-7

    Molecular formula
    C6H8O2

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

    Safety labels

  • Odor profile

    Fragrance
    Pungent 55.02%
    Fruity 53.12%
    Sweet 50.76%
    Spicy 48.65%
    Caramellic 48.46%
    Sharp 45.4%
    Green 35.84%
    Burnt 33.76%
    Sour 33.02%
    Warm 31.69%

     

    Flavor
    Nutty 31.21%
    Sweet 30.46%
    Spicy 30.36%
    Phenolic 27.76%
    Woody 26.71%
    Dry 25.21%
    Hazelnut 22.18%
    Pungent 22.12%
    Filbert 22.12%
    Matches 21.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    6.15 (neutral)

    Molecular weight
    112.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    187°C

    Flash point

    • 80.8 ˚C est.

  • Synonyms

    • 2-methyl-2,3-pentadienoic acid
    • 2-Methylpenta-2,3-dienoic acid
    • 56758-73-7
    • SCHEMBL26125
    • DTXSID10574545
    • 2-methyl-penta-2,3-dienoic acid
    • AKOS006379379
    • 56758-73-7

  • Applications

    2-Methyl-2,3-pentadienoic acid (CAS 56758-73-7) is primarily used as a reactive intermediate in organic synthesis and as a building block for specialty chemicals. In polymer and plastics applications, it can serve as a functionalized monomer or crosslinking/pendant unit for unsaturated resins and copolymers. In coatings and inks, it provides a reactive site for resin formulation and can be incorporated into UV- or heat-cured systems. In cosmetics and personal care, its ester derivatives or fragrance-related transformations are commonly evaluated for use as fragrance intermediates or scent-related additives. It may also be used to tune performance attributes in industrial formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 548.77
    methanol 711.33
    isopropanol 474.41
    water 18.79
    ethyl acetate 144.14
    n-propanol 425.61
    acetone 290.06
    n-butanol 363.09
    acetonitrile 211.5
    DMF 819.61
    toluene 77.49
    isobutanol 305.74
    1,4-dioxane 626.76
    methyl acetate 191.03
    THF 602.63
    2-butanone 232.7
    n-pentanol 326.12
    sec-butanol 375.62
    n-hexane 59.73
    ethylene glycol 219.49
    NMP 504.74
    cyclohexane 25.6
    DMSO 646.62
    n-butyl acetate 129.22
    n-octanol 182.54
    chloroform 265.44
    n-propyl acetate 116.21
    acetic acid 192.61
    dichloromethane 271.71
    cyclohexanone 239.72
    propylene glycol 187.93
    isopropyl acetate 104.09
    DMAc 382.2
    2-ethoxyethanol 442.93
    isopentanol 276.13
    n-heptane 26.21
    ethyl formate 151.5
    1,2-dichloroethane 226.0
    n-hexanol 276.42
    2-methoxyethanol 572.56
    isobutyl acetate 74.7
    tetrachloromethane 79.61
    n-pentyl acetate 134.72
    transcutol 513.63
    n-heptanol 181.62
    ethylbenzene 73.08
    MIBK 156.64
    2-propoxyethanol 395.38
    tert-butanol 534.54
    MTBE 341.2
    2-butoxyethanol 272.56
    propionic acid 194.97
    o-xylene 82.23
    formic acid 182.85
    diethyl ether 275.42
    m-xylene 80.24
    p-xylene 84.91
    chlorobenzene 108.3
    dimethyl carbonate 83.73
    n-octane 19.69
    formamide 233.37
    cyclopentanone 354.11
    2-pentanone 207.99
    anisole 167.81
    cyclopentyl methyl ether 235.52
    gamma-butyrolactone 399.39
    1-methoxy-2-propanol 441.78
    pyridine 185.61
    3-pentanone 135.48
    furfural 302.25
    n-dodecane 17.71
    diethylene glycol 333.49
    diisopropyl ether 91.94
    tert-amyl alcohol 435.67
    acetylacetone 174.38
    n-hexadecane 19.2
    acetophenone 125.88
    methyl propionate 149.96
    isopentyl acetate 128.66
    trichloroethylene 303.38
    n-nonanol 155.15
    cyclohexanol 204.4
    benzyl alcohol 144.27
    2-ethylhexanol 144.73
    isooctanol 145.01
    dipropyl ether 114.29
    1,2-dichlorobenzene 114.73
    ethyl lactate 86.26
    propylene carbonate 169.25
    n-methylformamide 377.87
    2-pentanol 271.73
    n-pentane 46.4
    1-propoxy-2-propanol 231.08
    1-methoxy-2-propyl acetate 142.64
    2-(2-methoxypropoxy) propanol 171.86
    mesitylene 61.97
    ε-caprolactone 224.64
    p-cymene 48.42
    epichlorohydrin 425.55
    1,1,1-trichloroethane 178.11
    2-aminoethanol 342.85
    morpholine-4-carbaldehyde 462.07
    sulfolane 507.33
    2,2,4-trimethylpentane 32.99
    2-methyltetrahydrofuran 398.61
    n-hexyl acetate 198.09
    isooctane 28.9
    2-(2-butoxyethoxy)ethanol 276.19
    sec-butyl acetate 83.36
    tert-butyl acetate 165.01
    decalin 29.32
    glycerin 237.24
    diglyme 413.24
    acrylic acid 160.24
    isopropyl myristate 83.18
    n-butyric acid 208.66
    acetyl acetate 64.99
    di(2-ethylhexyl) phthalate 70.38
    ethyl propionate 104.94
    nitromethane 310.65
    1,2-diethoxyethane 186.15
    benzonitrile 131.87
    trioctyl phosphate 69.72
    1-bromopropane 167.1
    gamma-valerolactone 431.01
    n-decanol 118.14
    triethyl phosphate 58.76
    4-methyl-2-pentanol 155.77
    propionitrile 191.36
    vinylene carbonate 152.74
    1,1,2-trichlorotrifluoroethane 242.52
    DMS 102.4
    cumene 62.63
    2-octanol 143.86
    2-hexanone 166.45
    octyl acetate 111.66
    limonene 68.1
    1,2-dimethoxyethane 502.62
    ethyl orthosilicate 62.48
    tributyl phosphate 65.32
    diacetone alcohol 241.01
    N,N-dimethylaniline 136.83
    acrylonitrile 204.85
    aniline 129.39
    1,3-propanediol 372.9
    bromobenzene 93.01
    dibromomethane 199.09
    1,1,2,2-tetrachloroethane 271.81
    2-methyl-cyclohexyl acetate 92.49
    tetrabutyl urea 91.15
    diisobutyl methanol 89.14
    2-phenylethanol 152.65
    styrene 78.25
    dioctyl adipate 84.45
    dimethyl sulfate 159.46
    ethyl butyrate 91.16
    methyl lactate 120.79
    butyl lactate 102.88
    diethyl carbonate 60.6
    propanediol butyl ether 220.38
    triethyl orthoformate 71.55
    p-tert-butyltoluene 53.69
    methyl 4-tert-butylbenzoate 148.77
    morpholine 600.03
    tert-butylamine 346.13
    n-dodecanol 90.01
    dimethoxymethane 395.22
    ethylene carbonate 125.93
    cyrene 160.28
    2-ethoxyethyl acetate 159.1
    2-ethylhexyl acetate 99.06
    1,2,4-trichlorobenzene 124.44
    4-methylpyridine 217.85
    dibutyl ether 118.29
    2,6-dimethyl-4-heptanol 89.14
    DEF 254.32
    dimethyl isosorbide 244.85
    tetrachloroethylene 202.03
    eugenol 170.41
    triacetin 108.0
    span 80 154.84
    1,4-butanediol 232.46
    1,1-dichloroethane 216.62
    2-methyl-1-pentanol 245.73
    methyl formate 250.76
    2-methyl-1-butanol 278.58
    n-decane 27.91
    butyronitrile 205.57
    3,7-dimethyl-1-octanol 134.99
    1-chlorooctane 96.93
    1-chlorotetradecane 41.72
    n-nonane 27.92
    undecane 21.88
    tert-butylcyclohexane 37.54
    cyclooctane 14.41
    cyclopentanol 291.28
    tetrahydropyran 366.52
    tert-amyl methyl ether 245.17
    2,5,8-trioxanonane 278.46
    1-hexene 152.18
    2-isopropoxyethanol 289.41
    2,2,2-trifluoroethanol 104.75
    methyl butyrate 141.97

    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