3-Pentenoic acid

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  • Identifiers

    CAS number
    5204-64-8

    Molecular formula
    C5H8O2

    SMILES
    CC=CCC(=O)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fruity 89.07%
    Green 70.61%
    Cheesy 58.52%
    Sour 40.24%
    Sharp 35.39%
    Sweaty 33.75%
    Dairy 33.68%
    Tropical 32.01%
    Caramellic 29.08%
    Pungent 28.52%

     

    Flavor
    Sour 32.51%
    Pungent 30.77%
    Odorless 30.22%
    Acidic 28.17%
    Sharp 21.83%
    Sweat 21.31%
    Soy 20.91%
    Vinegar 20.43%
    Rancid 20.43%
    Formyl 20.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    8.23 (weak base)

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    202°C

    Flash point

    • 83.34 ˚C est.

  • Synonyms

    • DTXSID001316753
    • RefChem:1068460
    • DTXCID201333195
    • 628-465-0
    • 3-Pentenoic acid
    • 5204-64-8
    • pent-3-enoic acid
    • SCHEMBL34657
    • SCHEMBL308543
    • SCHEMBL3106657
    • SCHEMBL11807920
    • D92067
    • Q27117611
    • 5204-64-8

  • Applications

    3-Pentenoic acid (CAS 5204-64-8) is an unsaturated carboxylic acid that functions primarily as a chemical intermediate and building block in materials chemistry. It can act as a monomer or comonomer for vinyl-type polymers and unsaturated polyesters, introducing carboxyl functionality that enhances adhesion, crosslinking, and resin compatibility. It is used to prepare esters and other derivatives for coatings, inks, and specialty polymers, enabling functionalization in formulation workflows. In fragrance and flavor chemistry, it can be converted to esters or other derivatives as fragrance ingredients or intermediates. It can also serve as a synthetic intermediate in pharmaceutical or agrochemical syntheses, subject to applicable regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 252.43
    methanol 367.45
    isopropanol 198.14
    water 62.3
    ethyl acetate 55.19
    n-propanol 179.27
    acetone 162.35
    n-butanol 143.56
    acetonitrile 54.94
    DMF 786.99
    toluene 13.75
    isobutanol 129.48
    1,4-dioxane 122.31
    methyl acetate 73.7
    THF 292.37
    2-butanone 93.2
    n-pentanol 110.66
    sec-butanol 144.01
    n-hexane 10.42
    ethylene glycol 236.01
    NMP 303.4
    cyclohexane 4.06
    DMSO 422.04
    n-butyl acetate 44.58
    n-octanol 74.95
    chloroform 43.44
    n-propyl acetate 38.1
    acetic acid 129.12
    dichloromethane 33.97
    cyclohexanone 95.19
    propylene glycol 270.71
    isopropyl acetate 40.43
    DMAc 372.22
    2-ethoxyethanol 168.61
    isopentanol 111.83
    n-heptane 6.97
    ethyl formate 76.61
    1,2-dichloroethane 33.43
    n-hexanol 129.05
    2-methoxyethanol 337.02
    isobutyl acetate 29.37
    tetrachloromethane 13.59
    n-pentyl acetate 38.95
    transcutol 212.46
    n-heptanol 72.03
    ethylbenzene 18.31
    MIBK 62.57
    2-propoxyethanol 203.19
    tert-butanol 206.15
    MTBE 79.94
    2-butoxyethanol 117.1
    propionic acid 137.64
    o-xylene 20.73
    formic acid 136.85
    diethyl ether 40.85
    m-xylene 22.48
    p-xylene 21.13
    chlorobenzene 19.86
    dimethyl carbonate 51.05
    n-octane 4.1
    formamide 112.91
    cyclopentanone 186.21
    2-pentanone 83.66
    anisole 54.81
    cyclopentyl methyl ether 83.58
    gamma-butyrolactone 181.11
    1-methoxy-2-propanol 285.38
    pyridine 54.12
    3-pentanone 44.81
    furfural 149.6
    n-dodecane 4.76
    diethylene glycol 221.51
    diisopropyl ether 17.73
    tert-amyl alcohol 152.82
    acetylacetone 90.75
    n-hexadecane 5.08
    acetophenone 50.33
    methyl propionate 73.92
    isopentyl acetate 44.25
    trichloroethylene 54.7
    n-nonanol 61.63
    cyclohexanol 79.41
    benzyl alcohol 61.53
    2-ethylhexanol 58.15
    isooctanol 55.38
    dipropyl ether 35.46
    1,2-dichlorobenzene 25.16
    ethyl lactate 60.99
    propylene carbonate 90.55
    n-methylformamide 258.98
    2-pentanol 92.46
    n-pentane 6.52
    1-propoxy-2-propanol 133.32
    1-methoxy-2-propyl acetate 69.83
    2-(2-methoxypropoxy) propanol 117.11
    mesitylene 17.35
    ε-caprolactone 86.11
    p-cymene 17.56
    epichlorohydrin 131.97
    1,1,1-trichloroethane 33.89
    2-aminoethanol 285.92
    morpholine-4-carbaldehyde 252.72
    sulfolane 251.95
    2,2,4-trimethylpentane 6.34
    2-methyltetrahydrofuran 125.34
    n-hexyl acetate 65.31
    isooctane 6.46
    2-(2-butoxyethoxy)ethanol 139.28
    sec-butyl acetate 28.19
    tert-butyl acetate 56.34
    decalin 6.89
    glycerin 325.24
    diglyme 189.54
    acrylic acid 125.18
    isopropyl myristate 30.63
    n-butyric acid 120.05
    acetyl acetate 34.05
    di(2-ethylhexyl) phthalate 38.18
    ethyl propionate 43.04
    nitromethane 170.03
    1,2-diethoxyethane 45.78
    benzonitrile 44.82
    trioctyl phosphate 34.76
    1-bromopropane 23.81
    gamma-valerolactone 212.15
    n-decanol 48.27
    triethyl phosphate 27.82
    4-methyl-2-pentanol 61.22
    propionitrile 60.24
    vinylene carbonate 75.75
    1,1,2-trichlorotrifluoroethane 145.07
    DMS 46.38
    cumene 19.37
    2-octanol 48.97
    2-hexanone 55.93
    octyl acetate 42.16
    limonene 23.78
    1,2-dimethoxyethane 196.64
    ethyl orthosilicate 27.09
    tributyl phosphate 32.99
    diacetone alcohol 127.71
    N,N-dimethylaniline 54.16
    acrylonitrile 85.07
    aniline 43.06
    1,3-propanediol 238.1
    bromobenzene 14.94
    dibromomethane 25.08
    1,1,2,2-tetrachloroethane 58.3
    2-methyl-cyclohexyl acetate 38.54
    tetrabutyl urea 53.47
    diisobutyl methanol 35.25
    2-phenylethanol 66.0
    styrene 18.05
    dioctyl adipate 42.71
    dimethyl sulfate 108.57
    ethyl butyrate 36.57
    methyl lactate 113.74
    butyl lactate 56.8
    diethyl carbonate 26.65
    propanediol butyl ether 144.54
    triethyl orthoformate 30.89
    p-tert-butyltoluene 18.6
    methyl 4-tert-butylbenzoate 72.74
    morpholine 162.8
    tert-butylamine 108.9
    n-dodecanol 37.24
    dimethoxymethane 204.07
    ethylene carbonate 58.79
    cyrene 96.2
    2-ethoxyethyl acetate 46.47
    2-ethylhexyl acetate 31.23
    1,2,4-trichlorobenzene 30.58
    4-methylpyridine 68.42
    dibutyl ether 33.73
    2,6-dimethyl-4-heptanol 35.25
    DEF 120.07
    dimethyl isosorbide 130.82
    tetrachloroethylene 39.18
    eugenol 94.06
    triacetin 57.05
    span 80 104.98
    1,4-butanediol 131.38
    1,1-dichloroethane 37.31
    2-methyl-1-pentanol 85.87
    methyl formate 169.26
    2-methyl-1-butanol 105.03
    n-decane 6.83
    butyronitrile 65.87
    3,7-dimethyl-1-octanol 57.99
    1-chlorooctane 26.15
    1-chlorotetradecane 12.54
    n-nonane 6.44
    undecane 5.59
    tert-butylcyclohexane 9.59
    cyclooctane 2.42
    cyclopentanol 139.42
    tetrahydropyran 77.11
    tert-amyl methyl ether 60.95
    2,5,8-trioxanonane 162.33
    1-hexene 30.08
    2-isopropoxyethanol 106.57
    2,2,2-trifluoroethanol 64.1
    methyl butyrate 64.26

    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