Hexyl hex-2-enoate

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  • Identifiers

    CAS number
    16930-97-5

    Molecular formula
    C12H22O2

    SMILES
    CCCCCCOC(=O)C=CCCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 90.68%
    Green 89.04%
    Waxy 62.06%
    Apple 57.48%
    Tropical 57.2%
    Fatty 56.1%
    Pear 55.68%
    Fresh 49.19%
    Sweet 45.09%
    Pineapple 43.77%

     

    Flavor
    Green 77.15%
    Fruity 72.76%
    Waxy 50.99%
    Apple 47.0%
    Fatty 42.94%
    Pear 41.8%
    Tropical 36.62%
    Herbal 31.55%
    Vegetable 31.54%
    Oily 30.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.47 (neutral)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 107.5 ˚C est.

  • Synonyms

    • Hexyl hex-2-enoate
    • 2-Hexenoic acid, hexyl ester
    • EINECS 240-998-7
    • AI3-33378
    • RefChem:146343
    • 240-998-7
    • 16930-97-5
    • 1-hexyl hexenoate
    • SCHEMBL7756679
    • SCHEMBL18339407
    • DTXSID30865689
    • NGQTTWDHJIMWOI-UHFFFAOYSA-N
    • NS00054131
    • 16930-97-5

  • Applications

    Hexyl hex-2-enoate (CAS 16930-97-5) is primarily used as a fragrance ingredient and odorant in perfumery, often serving as a fixative to help stabilize and extend aroma in cosmetics, personal care products, and household cleaners. It is commonly evaluated as a flavor-related aroma compound in fragrance and flavor research. In addition, it can function as a solvent or intermediate in industrial manufacturing and fragrance synthesis, and may be used as a precursor for related esters in polymers or coatings where scent attributes are desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9038.55
    methanol 9328.68
    isopropanol 6073.84
    water 0.14
    ethyl acetate 8404.86
    n-propanol 5925.99
    acetone 13954.93
    n-butanol 5535.36
    acetonitrile 6439.01
    DMF 10629.15
    toluene 2806.54
    isobutanol 4526.55
    1,4-dioxane 6292.24
    methyl acetate 5064.96
    THF 11111.56
    2-butanone 8096.26
    n-pentanol 3279.78
    sec-butanol 5022.78
    n-hexane 1178.08
    ethylene glycol 585.13
    NMP 7034.07
    cyclohexane 1921.16
    DMSO 10869.4
    n-butyl acetate 5404.73
    n-octanol 1062.09
    chloroform 9482.87
    n-propyl acetate 3934.04
    acetic acid 4662.65
    dichloromethane 11516.19
    cyclohexanone 10552.53
    propylene glycol 1076.72
    isopropyl acetate 4673.55
    DMAc 5451.51
    2-ethoxyethanol 3029.05
    isopentanol 4427.88
    n-heptane 418.04
    ethyl formate 3254.5
    1,2-dichloroethane 10373.32
    n-hexanol 3179.48
    2-methoxyethanol 6121.81
    isobutyl acetate 2044.69
    tetrachloromethane 1414.7
    n-pentyl acetate 2462.63
    transcutol 9540.98
    n-heptanol 1027.94
    ethylbenzene 1222.29
    MIBK 3456.34
    2-propoxyethanol 3912.9
    tert-butanol 6337.61
    MTBE 6890.28
    2-butoxyethanol 1823.04
    propionic acid 3384.58
    o-xylene 1293.67
    formic acid 860.36
    diethyl ether 7937.86
    m-xylene 1627.75
    p-xylene 1482.48
    chlorobenzene 3489.8
    dimethyl carbonate 1308.48
    n-octane 155.48
    formamide 1700.19
    cyclopentanone 8881.44
    2-pentanone 8166.44
    anisole 2174.33
    cyclopentyl methyl ether 6196.62
    gamma-butyrolactone 8210.09
    1-methoxy-2-propanol 4769.19
    pyridine 7281.77
    3-pentanone 4693.96
    furfural 4806.08
    n-dodecane 96.38
    diethylene glycol 2074.21
    diisopropyl ether 2006.02
    tert-amyl alcohol 4904.96
    acetylacetone 6240.03
    n-hexadecane 116.13
    acetophenone 1963.3
    methyl propionate 4847.95
    isopentyl acetate 4186.25
    trichloroethylene 14642.22
    n-nonanol 894.83
    cyclohexanol 4973.84
    benzyl alcohol 1659.91
    2-ethylhexanol 1886.36
    isooctanol 884.29
    dipropyl ether 2629.17
    1,2-dichlorobenzene 2728.0
    ethyl lactate 1022.83
    propylene carbonate 3728.44
    n-methylformamide 4248.15
    2-pentanol 4101.4
    n-pentane 940.55
    1-propoxy-2-propanol 3093.52
    1-methoxy-2-propyl acetate 3347.96
    2-(2-methoxypropoxy) propanol 1499.64
    mesitylene 928.04
    ε-caprolactone 6809.38
    p-cymene 652.88
    epichlorohydrin 9759.77
    1,1,1-trichloroethane 7343.22
    2-aminoethanol 1828.41
    morpholine-4-carbaldehyde 4927.55
    sulfolane 8193.22
    2,2,4-trimethylpentane 319.84
    2-methyltetrahydrofuran 9909.96
    n-hexyl acetate 3118.29
    isooctane 282.51
    2-(2-butoxyethoxy)ethanol 2400.82
    sec-butyl acetate 2515.58
    tert-butyl acetate 3972.57
    decalin 541.72
    glycerin 1041.55
    diglyme 4363.63
    acrylic acid 2347.6
    isopropyl myristate 924.56
    n-butyric acid 6510.25
    acetyl acetate 3376.42
    di(2-ethylhexyl) phthalate 710.67
    ethyl propionate 3255.75
    nitromethane 8287.67
    1,2-diethoxyethane 4449.02
    benzonitrile 2669.69
    trioctyl phosphate 542.43
    1-bromopropane 6997.73
    gamma-valerolactone 8526.01
    n-decanol 611.19
    triethyl phosphate 811.47
    4-methyl-2-pentanol 1720.92
    propionitrile 4651.98
    vinylene carbonate 2989.38
    1,1,2-trichlorotrifluoroethane 4419.08
    DMS 1883.7
    cumene 703.56
    2-octanol 811.44
    2-hexanone 4090.52
    octyl acetate 1169.7
    limonene 1352.82
    1,2-dimethoxyethane 5492.09
    ethyl orthosilicate 824.19
    tributyl phosphate 791.84
    diacetone alcohol 3330.31
    N,N-dimethylaniline 1335.65
    acrylonitrile 4810.84
    aniline 2817.9
    1,3-propanediol 2885.32
    bromobenzene 4072.11
    dibromomethane 8210.42
    1,1,2,2-tetrachloroethane 10415.44
    2-methyl-cyclohexyl acetate 1664.19
    tetrabutyl urea 1050.47
    diisobutyl methanol 969.9
    2-phenylethanol 1702.65
    styrene 1856.66
    dioctyl adipate 1222.24
    dimethyl sulfate 1780.03
    ethyl butyrate 2821.02
    methyl lactate 1451.76
    butyl lactate 1505.52
    diethyl carbonate 1434.61
    propanediol butyl ether 1618.32
    triethyl orthoformate 1442.21
    p-tert-butyltoluene 619.62
    methyl 4-tert-butylbenzoate 1315.89
    morpholine 10360.52
    tert-butylamine 4305.94
    n-dodecanol 452.6
    dimethoxymethane 5241.18
    ethylene carbonate 2760.21
    cyrene 1151.04
    2-ethoxyethyl acetate 2832.48
    2-ethylhexyl acetate 2977.94
    1,2,4-trichlorobenzene 2935.03
    4-methylpyridine 6964.99
    dibutyl ether 2382.71
    2,6-dimethyl-4-heptanol 969.9
    DEF 7487.24
    dimethyl isosorbide 2501.47
    tetrachloroethylene 6253.12
    eugenol 1285.27
    triacetin 1888.19
    span 80 1576.85
    1,4-butanediol 979.58
    1,1-dichloroethane 9511.34
    2-methyl-1-pentanol 2741.35
    methyl formate 2540.01
    2-methyl-1-butanol 4186.49
    n-decane 186.91
    butyronitrile 6318.7
    3,7-dimethyl-1-octanol 1242.4
    1-chlorooctane 1006.2
    1-chlorotetradecane 315.22
    n-nonane 203.35
    undecane 126.97
    tert-butylcyclohexane 448.13
    cyclooctane 409.3
    cyclopentanol 4467.41
    tetrahydropyran 11315.25
    tert-amyl methyl ether 4016.3
    2,5,8-trioxanonane 2565.87
    1-hexene 3833.03
    2-isopropoxyethanol 2166.82
    2,2,2-trifluoroethanol 893.09
    methyl butyrate 4984.62

    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