5-Hexenyl Acetate

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  • Identifiers

    CAS number
    5048-26-0

    Molecular formula
    C8H14O2

    SMILES
    CC(=O)OCCCCC=C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 88.57%
    Green 78.88%
    Sweet 46.31%
    Fresh 43.95%
    Tropical 41.83%
    Banana 38.68%
    Earthy 37.57%
    Pineapple 37.27%
    Vegetable 37.01%
    Fatty 35.61%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.01 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    169°C

    Flash point est.
    58.41 ˚C

  • Synonyms

    • 5-Hexenyl acetate
    • 5048-26-0
    • hex-5-enyl acetate
    • hex-5-en-1-yl acetate
    • Acetic acid 5-hexen-1-yl ester
    • Acetic acid 5-hexenyl ester
    • ACETICACID5-HEXEN-1-YLESTER
    • 5-Hexene-1-ol, acetate
    • DTXSID80336950
    • MFCD00060856
    • 6-Acetoxy-1-hexene
    • 5-Hexenyl acetate #
    • 5-Hexenyl acetate, 97%
    • SCHEMBL649480
    • DTXCID50288038
    • AKOS015903561
    • DB-071205
    • A1338
    • CS-0204797
    • D88421
    • 610-535-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1079.94
    methanol 1300.12
    isopropanol 818.13
    water 2.02
    ethyl acetate 439.66
    n-propanol 681.03
    acetone 856.1
    n-butanol 602.26
    acetonitrile 438.45
    DMF 1222.63
    toluene 154.98
    isobutanol 477.87
    1,4-dioxane 836.62
    methyl acetate 402.87
    THF 1101.28
    2-butanone 504.8
    n-pentanol 431.33
    sec-butanol 567.03
    n-hexane 106.16
    ethylene glycol 239.8
    NMP 895.6
    cyclohexane 87.64
    DMSO 1265.11
    n-butyl acetate 318.08
    n-octanol 206.56
    chloroform 825.99
    n-propyl acetate 237.74
    acetic acid 911.06
    dichloromethane 664.37
    cyclohexanone 699.6
    propylene glycol 360.36
    isopropyl acetate 270.83
    DMAc 884.74
    2-ethoxyethanol 520.95
    isopentanol 472.94
    n-heptane 41.8
    ethyl formate 246.48
    1,2-dichloroethane 441.32
    n-hexanol 436.34
    2-methoxyethanol 933.41
    isobutyl acetate 174.96
    tetrachloromethane 109.58
    n-pentyl acetate 194.93
    transcutol 1784.16
    n-heptanol 143.65
    ethylbenzene 108.2
    MIBK 249.11
    2-propoxyethanol 601.34
    tert-butanol 882.76
    MTBE 487.53
    2-butoxyethanol 263.95
    propionic acid 560.78
    o-xylene 131.74
    formic acid 273.17
    diethyl ether 472.5
    m-xylene 144.15
    p-xylene 137.19
    chlorobenzene 235.9
    dimethyl carbonate 116.82
    n-octane 17.87
    formamide 270.85
    cyclopentanone 743.08
    2-pentanone 424.77
    anisole 238.3
    cyclopentyl methyl ether 504.01
    gamma-butyrolactone 748.2
    1-methoxy-2-propanol 707.51
    pyridine 453.33
    3-pentanone 295.04
    furfural 576.8
    n-dodecane 17.56
    diethylene glycol 462.82
    diisopropyl ether 121.96
    tert-amyl alcohol 638.88
    acetylacetone 439.73
    n-hexadecane 19.56
    acetophenone 222.83
    methyl propionate 322.08
    isopentyl acetate 291.26
    trichloroethylene 727.9
    n-nonanol 173.33
    cyclohexanol 539.58
    benzyl alcohol 234.32
    2-ethylhexanol 225.21
    isooctanol 121.94
    dipropyl ether 207.71
    1,2-dichlorobenzene 211.61
    ethyl lactate 150.12
    propylene carbonate 376.54
    n-methylformamide 427.87
    2-pentanol 407.58
    n-pentane 68.92
    1-propoxy-2-propanol 418.65
    1-methoxy-2-propyl acetate 318.48
    2-(2-methoxypropoxy) propanol 363.76
    mesitylene 96.15
    ε-caprolactone 551.09
    p-cymene 76.43
    epichlorohydrin 695.94
    1,1,1-trichloroethane 405.54
    2-aminoethanol 451.86
    morpholine-4-carbaldehyde 762.35
    sulfolane 944.15
    2,2,4-trimethylpentane 42.08
    2-methyltetrahydrofuran 812.22
    n-hexyl acetate 345.21
    isooctane 31.21
    2-(2-butoxyethoxy)ethanol 482.86
    sec-butyl acetate 178.76
    tert-butyl acetate 317.23
    decalin 52.59
    glycerin 410.2
    diglyme 690.8
    acrylic acid 426.87
    isopropyl myristate 126.08
    n-butyric acid 671.66
    acetyl acetate 254.81
    di(2-ethylhexyl) phthalate 137.22
    ethyl propionate 220.2
    nitromethane 874.63
    1,2-diethoxyethane 453.46
    benzonitrile 265.89
    trioctyl phosphate 93.93
    1-bromopropane 329.4
    gamma-valerolactone 833.3
    n-decanol 124.79
    triethyl phosphate 109.85
    4-methyl-2-pentanol 204.18
    propionitrile 367.0
    vinylene carbonate 319.58
    1,1,2-trichlorotrifluoroethane 563.91
    DMS 237.21
    cumene 84.91
    2-octanol 114.43
    2-hexanone 305.08
    octyl acetate 163.7
    limonene 135.65
    1,2-dimethoxyethane 714.92
    ethyl orthosilicate 112.2
    tributyl phosphate 130.57
    diacetone alcohol 406.58
    N,N-dimethylaniline 181.73
    acrylonitrile 396.68
    aniline 261.64
    1,3-propanediol 543.45
    bromobenzene 236.34
    dibromomethane 496.13
    1,1,2,2-tetrachloroethane 706.34
    2-methyl-cyclohexyl acetate 200.69
    tetrabutyl urea 169.36
    diisobutyl methanol 122.72
    2-phenylethanol 224.1
    styrene 139.12
    dioctyl adipate 199.42
    dimethyl sulfate 236.32
    ethyl butyrate 207.92
    methyl lactate 221.86
    butyl lactate 191.17
    diethyl carbonate 139.87
    propanediol butyl ether 370.97
    triethyl orthoformate 155.96
    p-tert-butyltoluene 78.21
    methyl 4-tert-butylbenzoate 222.76
    morpholine 1029.57
    tert-butylamine 503.61
    n-dodecanol 93.42
    dimethoxymethane 459.97
    ethylene carbonate 263.09
    cyrene 279.18
    2-ethoxyethyl acetate 285.11
    2-ethylhexyl acetate 217.88
    1,2,4-trichlorobenzene 264.54
    4-methylpyridine 467.98
    dibutyl ether 250.4
    2,6-dimethyl-4-heptanol 122.72
    DEF 518.84
    dimethyl isosorbide 482.94
    tetrachloroethylene 423.54
    eugenol 232.43
    triacetin 325.45
    span 80 330.09
    1,4-butanediol 230.04
    1,1-dichloroethane 492.81
    2-methyl-1-pentanol 370.06
    methyl formate 285.3
    2-methyl-1-butanol 440.64
    n-decane 28.83
    butyronitrile 427.12
    3,7-dimethyl-1-octanol 205.24
    1-chlorooctane 116.24
    1-chlorotetradecane 47.24
    n-nonane 28.68
    undecane 21.69
    tert-butylcyclohexane 55.03
    cyclooctane 26.48
    cyclopentanol 564.3
    tetrahydropyran 809.06
    tert-amyl methyl ether 357.58
    2,5,8-trioxanonane 551.9
    1-hexene 301.37
    2-isopropoxyethanol 359.1
    2,2,2-trifluoroethanol 203.2
    methyl butyrate 307.01

    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