5-Hexenoic Acid

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  • Identifiers

    CAS number
    1577-22-6

    Molecular formula
    C6H10O2

    SMILES
    C=CCCCC(=O)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fruity 68.45%
    Cheesy 67.76%
    Fatty 57.18%
    Green 50.73%
    Sour 48.7%
    Dairy 46.32%
    Buttery 36.61%
    Sweaty 35.06%
    Caramellic 32.35%
    Waxy 30.97%

     

    Flavor
    Sour 35.09%
    Cheese 32.88%
    Rancid 27.71%
    Acidic 27.17%
    Sweat 27.04%
    Fatty 26.65%
    Odorless 25.61%
    Cheesy 22.87%
    Oily 22.82%
    Animal 22.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.64 (neutral)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    205°C

    Flash point

    • 100.05 ˚C est.

  • Synonyms

    • 5-HEXENOIC ACID
    • 1577-22-6
    • 5HL6OL352W
    • DTXSID30166305
    • RefChem:536105
    • DTXCID1088796
    • 628-738-4
    • Hex-5-enoic acid
    • 5-HEXENOICACID
    • MFCD00046558
    • delta-hexenoic acid
    • C6:1n-1
    • 5-Hexenoic-acid
    • 5-Hexenoic acid, 98%
    • UNII-5HL6OL352W
    • SCHEMBL60128
    • SCHEMBL1005290
    • SCHEMBL2409942
    • SCHEMBL2641442
    • SCHEMBL3108404
    • SCHEMBL3979681
    • CHEBI:180388
    • LMFA01030011
    • AKOS006221472
    • EBC-618164
    • SY050075
    • DB-043362
    • CS-0113496
    • H0875
    • EN300-99074
    • D86337
    • F200742
    • J-640339
    • Z1205493561
    • 1577-22-6

  • Applications

    5-Hexenoic Acid (CAS 1577-22-6) is a versatile building block in organic synthesis, commonly used as a reactive monomer or co-monomer to introduce a vinyl group and a carboxyl functionality into polymers. In polymer and coating applications, it can participate in radical polymerization or be incorporated into unsaturated polyester resins and acrylic systems to enable post-polymerization modification and crosslinking. It also serves as an intermediate in fragrance and flavor chemistry, enabling the synthesis of esters and other specialty aroma compounds for perfumery and taste applications. In pharmaceutical synthesis, it is used as a precursor to more complex intermediates. In cosmetics and personal care, it can be converted to esters or incorporated into polymerizable additives, with performance and usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 230.08
    methanol 307.6
    isopropanol 138.73
    water 12.31
    ethyl acetate 81.88
    n-propanol 142.34
    acetone 165.95
    n-butanol 169.61
    acetonitrile 37.93
    DMF 578.15
    toluene 6.59
    isobutanol 104.1
    1,4-dioxane 219.88
    methyl acetate 59.9
    THF 343.37
    2-butanone 74.93
    n-pentanol 102.78
    sec-butanol 102.43
    n-hexane 6.17
    ethylene glycol 133.97
    NMP 438.96
    cyclohexane 5.49
    DMSO 529.85
    n-butyl acetate 91.65
    n-octanol 81.25
    chloroform 20.03
    n-propyl acetate 54.54
    acetic acid 307.2
    dichloromethane 34.33
    cyclohexanone 165.8
    propylene glycol 147.84
    isopropyl acetate 66.32
    DMAc 291.17
    2-ethoxyethanol 174.6
    isopentanol 136.03
    n-heptane 7.52
    ethyl formate 85.89
    1,2-dichloroethane 32.94
    n-hexanol 121.74
    2-methoxyethanol 378.18
    isobutyl acetate 36.64
    tetrachloromethane 4.73
    n-pentyl acetate 62.42
    transcutol 570.83
    n-heptanol 65.08
    ethylbenzene 9.39
    MIBK 73.19
    2-propoxyethanol 220.5
    tert-butanol 187.34
    MTBE 60.06
    2-butoxyethanol 128.23
    propionic acid 157.68
    o-xylene 13.55
    formic acid 157.39
    diethyl ether 47.72
    m-xylene 14.72
    p-xylene 12.77
    chlorobenzene 16.37
    dimethyl carbonate 46.74
    n-octane 3.48
    formamide 163.09
    cyclopentanone 231.86
    2-pentanone 100.53
    anisole 42.81
    cyclopentyl methyl ether 111.3
    gamma-butyrolactone 298.5
    1-methoxy-2-propanol 300.57
    pyridine 53.6
    3-pentanone 49.92
    furfural 216.12
    n-dodecane 4.36
    diethylene glycol 216.7
    diisopropyl ether 21.32
    tert-amyl alcohol 129.23
    acetylacetone 136.32
    n-hexadecane 4.6
    acetophenone 53.99
    methyl propionate 82.18
    isopentyl acetate 83.35
    trichloroethylene 52.58
    n-nonanol 70.98
    cyclohexanol 106.7
    benzyl alcohol 52.14
    2-ethylhexanol 66.18
    isooctanol 49.25
    dipropyl ether 52.81
    1,2-dichlorobenzene 24.79
    ethyl lactate 57.65
    propylene carbonate 156.36
    n-methylformamide 206.76
    2-pentanol 97.67
    n-pentane 4.74
    1-propoxy-2-propanol 168.98
    1-methoxy-2-propyl acetate 113.5
    2-(2-methoxypropoxy) propanol 147.26
    mesitylene 14.98
    ε-caprolactone 168.31
    p-cymene 17.56
    epichlorohydrin 183.72
    1,1,1-trichloroethane 18.06
    2-aminoethanol 194.37
    morpholine-4-carbaldehyde 354.21
    sulfolane 408.61
    2,2,4-trimethylpentane 5.22
    2-methyltetrahydrofuran 178.16
    n-hexyl acetate 109.74
    isooctane 5.19
    2-(2-butoxyethoxy)ethanol 230.16
    sec-butyl acetate 38.02
    tert-butyl acetate 85.1
    decalin 6.38
    glycerin 218.94
    diglyme 279.92
    acrylic acid 135.67
    isopropyl myristate 46.27
    n-butyric acid 209.35
    acetyl acetate 63.37
    di(2-ethylhexyl) phthalate 55.28
    ethyl propionate 55.48
    nitromethane 284.37
    1,2-diethoxyethane 100.91
    benzonitrile 45.09
    trioctyl phosphate 47.88
    1-bromopropane 14.6
    gamma-valerolactone 340.46
    n-decanol 54.94
    triethyl phosphate 38.45
    4-methyl-2-pentanol 65.48
    propionitrile 40.85
    vinylene carbonate 116.58
    1,1,2-trichlorotrifluoroethane 147.59
    DMS 69.65
    cumene 13.03
    2-octanol 45.37
    2-hexanone 60.31
    octyl acetate 65.29
    limonene 29.49
    1,2-dimethoxyethane 219.95
    ethyl orthosilicate 35.51
    tributyl phosphate 55.11
    diacetone alcohol 167.49
    N,N-dimethylaniline 43.38
    acrylonitrile 55.61
    aniline 33.67
    1,3-propanediol 251.21
    bromobenzene 10.89
    dibromomethane 17.75
    1,1,2,2-tetrachloroethane 47.1
    2-methyl-cyclohexyl acetate 62.86
    tetrabutyl urea 79.94
    diisobutyl methanol 44.82
    2-phenylethanol 64.13
    styrene 9.75
    dioctyl adipate 74.1
    dimethyl sulfate 98.9
    ethyl butyrate 66.07
    methyl lactate 102.49
    butyl lactate 82.26
    diethyl carbonate 42.84
    propanediol butyl ether 176.96
    triethyl orthoformate 53.26
    p-tert-butyltoluene 18.34
    methyl 4-tert-butylbenzoate 95.08
    morpholine 257.18
    tert-butylamine 84.38
    n-dodecanol 41.5
    dimethoxymethane 205.05
    ethylene carbonate 99.34
    cyrene 125.06
    2-ethoxyethyl acetate 87.12
    2-ethylhexyl acetate 59.22
    1,2,4-trichlorobenzene 34.0
    4-methylpyridine 56.15
    dibutyl ether 53.91
    2,6-dimethyl-4-heptanol 44.82
    DEF 167.54
    dimethyl isosorbide 218.33
    tetrachloroethylene 31.11
    eugenol 98.09
    triacetin 100.73
    span 80 161.27
    1,4-butanediol 102.77
    1,1-dichloroethane 18.8
    2-methyl-1-pentanol 88.54
    methyl formate 141.04
    2-methyl-1-butanol 110.71
    n-decane 6.09
    butyronitrile 60.17
    3,7-dimethyl-1-octanol 68.46
    1-chlorooctane 23.08
    1-chlorotetradecane 11.8
    n-nonane 5.44
    undecane 5.04
    tert-butylcyclohexane 6.81
    cyclooctane 2.82
    cyclopentanol 154.64
    tetrahydropyran 125.66
    tert-amyl methyl ether 54.6
    2,5,8-trioxanonane 236.16
    1-hexene 17.68
    2-isopropoxyethanol 109.93
    2,2,2-trifluoroethanol 83.22
    methyl butyrate 80.1

    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