Vinyl hexanoate

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  • Identifiers

    CAS number
    3050-69-9

    Molecular formula
    C8H14O2

    SMILES
    CCCCCC(=O)OC=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 96.39%
    Green 72.33%
    Pineapple 64.52%
    Apple 53.98%
    Tropical 53.33%
    Winey 40.63%
    Waxy 37.34%
    Sweet 37.11%
    Cheesy 36.79%
    Ethereal 36.24%

     

    Flavor
    Fruity 65.39%
    Cheese 42.84%
    Fatty 39.51%
    Pineapple 36.46%
    Green 31.11%
    Tropical 30.44%
    Rancid 28.55%
    Sweet 28.48%
    Sweat 28.32%
    Oily 27.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.12 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    160°C

    Flash point

    • 52.39 ˚C est.

  • Synonyms

    • Vinyl hexanoate
    • 3050-69-9
    • Vinyl caproate
    • Hexanoic acid, ethenyl ester
    • Vinyl hexoate
    • vinyl n-hexanoate
    • Hexanoic acid, vinyl ester
    • GW724Y19YV
    • caproic acid vinyl ester
    • EINECS 221-265-0
    • NSC-32629
    • AI3-24255
    • DTXSID60184572
    • NSC 32629
    • RefChem:901921
    • DTXCID00107063
    • 221-265-0
    • ethenyl hexanoate
    • vinylhexanoate
    • Hexanoic Acid Vinyl Ester
    • MFCD00048869
    • Caproic acid, vinyl ester
    • n-Caproic acid vinyl ester
    • Vinyl Hexanoate (stabilized with MEHQ)
    • UNII-GW724Y19YV
    • SCHEMBL35593
    • orb3021427
    • SCHEMBL1092661
    • LZWYWAIOTBEZFN-UHFFFAOYSA-
    • CHEBI:229271
    • DAA05069
    • NSC32629
    • MSK168326
    • BS-22270
    • SY053814
    • NS00028933
    • G68142
    • Q27279312
    • InChI=1/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h4H,2-3,5-7H2,1H3
    • 9015-97-8
    • 3050-69-9

  • Applications

    Vinyl hexanoate (CAS 3050-69-9) is a vinyl ester that can participate in radical polymerization, serving as a monomer for vinyl polymers and related plastics. In industrial applications, it is used as a monomer or comonomer to produce specialty coatings and inks with enhanced chemical resistance and durability. It can also act as a plasticizer or modifying component in certain polymer formulations, or as an intermediate in organic synthesis to develop hexanoate esters and related fragrance compounds for the perfumery and cosmetics sectors. Additionally, it may be considered an intermediate for adhesive formulations in industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1644.49
    methanol 1943.68
    isopropanol 1062.05
    water 0.27
    ethyl acetate 1355.54
    n-propanol 1060.18
    acetone 2310.35
    n-butanol 1026.17
    acetonitrile 1046.65
    DMF 2621.52
    toluene 414.6
    isobutanol 734.51
    1,4-dioxane 1579.44
    methyl acetate 1019.29
    THF 2869.69
    2-butanone 1345.78
    n-pentanol 717.09
    sec-butanol 881.76
    n-hexane 167.09
    ethylene glycol 182.01
    NMP 2195.45
    cyclohexane 232.66
    DMSO 2555.94
    n-butyl acetate 1166.96
    n-octanol 296.24
    chloroform 1720.9
    n-propyl acetate 721.54
    acetic acid 1543.13
    dichloromethane 1821.73
    cyclohexanone 2101.77
    propylene glycol 293.27
    isopropyl acetate 782.69
    DMAc 1471.38
    2-ethoxyethanol 682.36
    isopentanol 836.07
    n-heptane 70.08
    ethyl formate 725.3
    1,2-dichloroethane 1346.82
    n-hexanol 851.09
    2-methoxyethanol 1308.1
    isobutyl acetate 423.0
    tetrachloromethane 190.75
    n-pentyl acetate 499.28
    transcutol 2718.76
    n-heptanol 238.8
    ethylbenzene 244.88
    MIBK 633.34
    2-propoxyethanol 1116.05
    tert-butanol 1210.99
    MTBE 947.23
    2-butoxyethanol 450.28
    propionic acid 908.0
    o-xylene 260.32
    formic acid 311.06
    diethyl ether 1101.19
    m-xylene 300.86
    p-xylene 313.59
    chlorobenzene 694.29
    dimethyl carbonate 270.41
    n-octane 29.23
    formamide 425.44
    cyclopentanone 2159.77
    2-pentanone 1236.4
    anisole 503.21
    cyclopentyl methyl ether 1201.95
    gamma-butyrolactone 2173.97
    1-methoxy-2-propanol 1049.23
    pyridine 1375.27
    3-pentanone 744.08
    furfural 1404.23
    n-dodecane 26.59
    diethylene glycol 653.54
    diisopropyl ether 293.93
    tert-amyl alcohol 940.79
    acetylacetone 1197.49
    n-hexadecane 31.04
    acetophenone 472.81
    methyl propionate 817.35
    isopentyl acetate 903.45
    trichloroethylene 2304.76
    n-nonanol 252.39
    cyclohexanol 955.63
    benzyl alcohol 418.17
    2-ethylhexanol 438.47
    isooctanol 199.3
    dipropyl ether 495.77
    1,2-dichlorobenzene 561.4
    ethyl lactate 251.06
    propylene carbonate 1065.99
    n-methylformamide 914.62
    2-pentanol 700.09
    n-pentane 114.33
    1-propoxy-2-propanol 837.09
    1-methoxy-2-propyl acetate 846.8
    2-(2-methoxypropoxy) propanol 546.74
    mesitylene 193.57
    ε-caprolactone 1533.13
    p-cymene 160.84
    epichlorohydrin 2058.64
    1,1,1-trichloroethane 1054.26
    2-aminoethanol 413.4
    morpholine-4-carbaldehyde 1476.4
    sulfolane 2342.76
    2,2,4-trimethylpentane 57.61
    2-methyltetrahydrofuran 2094.26
    n-hexyl acetate 767.89
    isooctane 48.27
    2-(2-butoxyethoxy)ethanol 737.95
    sec-butyl acetate 464.05
    tert-butyl acetate 810.76
    decalin 101.27
    glycerin 340.23
    diglyme 1186.44
    acrylic acid 695.88
    isopropyl myristate 257.29
    n-butyric acid 1463.27
    acetyl acetate 699.17
    di(2-ethylhexyl) phthalate 249.9
    ethyl propionate 583.62
    nitromethane 1950.09
    1,2-diethoxyethane 935.58
    benzonitrile 643.51
    trioctyl phosphate 178.53
    1-bromopropane 879.55
    gamma-valerolactone 2155.04
    n-decanol 183.02
    triethyl phosphate 228.72
    4-methyl-2-pentanol 344.47
    propionitrile 818.86
    vinylene carbonate 880.45
    1,1,2-trichlorotrifluoroethane 1039.33
    DMS 503.33
    cumene 158.9
    2-octanol 187.72
    2-hexanone 810.74
    octyl acetate 339.15
    limonene 298.33
    1,2-dimethoxyethane 1434.22
    ethyl orthosilicate 222.24
    tributyl phosphate 255.01
    diacetone alcohol 800.98
    N,N-dimethylaniline 330.52
    acrylonitrile 954.49
    aniline 532.88
    1,3-propanediol 660.63
    bromobenzene 754.69
    dibromomethane 1277.6
    1,1,2,2-tetrachloroethane 1697.52
    2-methyl-cyclohexyl acetate 457.23
    tetrabutyl urea 323.19
    diisobutyl methanol 227.73
    2-phenylethanol 477.83
    styrene 348.92
    dioctyl adipate 399.76
    dimethyl sulfate 457.7
    ethyl butyrate 587.82
    methyl lactate 363.3
    butyl lactate 371.07
    diethyl carbonate 365.9
    propanediol butyl ether 486.01
    triethyl orthoformate 368.54
    p-tert-butyltoluene 157.51
    methyl 4-tert-butylbenzoate 392.39
    morpholine 2072.53
    tert-butylamine 697.1
    n-dodecanol 138.45
    dimethoxymethane 1069.17
    ethylene carbonate 753.0
    cyrene 421.3
    2-ethoxyethyl acetate 641.5
    2-ethylhexyl acetate 630.76
    1,2,4-trichlorobenzene 637.89
    4-methylpyridine 1382.73
    dibutyl ether 499.45
    2,6-dimethyl-4-heptanol 227.73
    DEF 1345.17
    dimethyl isosorbide 915.94
    tetrachloroethylene 1017.65
    eugenol 404.63
    triacetin 577.24
    span 80 543.92
    1,4-butanediol 256.4
    1,1-dichloroethane 1347.98
    2-methyl-1-pentanol 601.95
    methyl formate 667.47
    2-methyl-1-butanol 740.16
    n-decane 45.22
    butyronitrile 1118.67
    3,7-dimethyl-1-octanol 337.8
    1-chlorooctane 219.9
    1-chlorotetradecane 82.63
    n-nonane 44.18
    undecane 33.54
    tert-butylcyclohexane 93.12
    cyclooctane 52.8
    cyclopentanol 1045.91
    tetrahydropyran 2072.28
    tert-amyl methyl ether 673.57
    2,5,8-trioxanonane 845.99
    1-hexene 594.75
    2-isopropoxyethanol 490.23
    2,2,2-trifluoroethanol 281.05
    methyl butyrate 915.83

    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