Hex-1-en-1-yl butanoate

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  • Identifiers

    CAS number
    26912-31-2

    Molecular formula
    C10H18O2

    SMILES
    CCCCC=COC(=O)CCC

    Retention indicies (RI)

    • DB5: 1190.0

  • Odor profile

    Fragrance
    Fruity 97.49%
    Green 88.31%
    Tropical 71.75%
    Apple 69.75%
    Pineapple 66.89%
    Banana 43.79%
    Pear 43.48%
    Waxy 42.67%
    Ripe 40.01%
    Fresh 39.68%

     

    Flavor
    Fruity 73.15%
    Green 62.16%
    Apple 43.67%
    Pineapple 41.81%
    Tropical 41.29%
    Waxy 39.96%
    Pear 38.17%
    Fatty 34.77%
    Sweet 32.51%
    Fruit 32.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.99 (neutral)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point

    • 83.11 ˚C est.

  • Synonyms

    • HEX-1-EN-1-YL BUTANOATE
    • 26912-31-2
    • DTXSID20709301
    • hexenyl butanoate
    • DTXCID20660049

  • Applications

    Hex-1-en-1-yl butanoate (CAS 26912-31-2) is primarily used as a fragrance/odorant ingredient in perfumery, delivering green to fruity notes, and may be employed as a flavor/aroma component in restricted formulations where permitted; in cosmetics and personal care it serves as a fragrance ingredient to shape scent profiles; in household products it acts as a fragrance additive to impart a pleasant aroma; it can also function as an intermediate in fragrance synthesis or be considered for use in coatings and inks where fragrance is desired; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6707.18
    methanol 6910.24
    isopropanol 5275.8
    water 0.26
    ethyl acetate 5304.85
    n-propanol 4584.16
    acetone 11107.37
    n-butanol 4513.85
    acetonitrile 5417.63
    DMF 9858.32
    toluene 1870.1
    isobutanol 3720.48
    1,4-dioxane 4982.24
    methyl acetate 3855.89
    THF 8275.36
    2-butanone 6112.75
    n-pentanol 2864.41
    sec-butanol 4356.62
    n-hexane 1264.01
    ethylene glycol 549.58
    NMP 6294.25
    cyclohexane 1330.11
    DMSO 8976.1
    n-butyl acetate 4249.7
    n-octanol 1226.82
    chloroform 8217.05
    n-propyl acetate 3098.0
    acetic acid 5306.02
    dichloromethane 8216.65
    cyclohexanone 8231.58
    propylene glycol 1070.75
    isopropyl acetate 3077.36
    DMAc 4714.26
    2-ethoxyethanol 2358.32
    isopentanol 3840.96
    n-heptane 354.2
    ethyl formate 2599.68
    1,2-dichloroethane 6686.82
    n-hexanol 2983.6
    2-methoxyethanol 4527.23
    isobutyl acetate 1636.48
    tetrachloromethane 1011.2
    n-pentyl acetate 1951.38
    transcutol 8581.82
    n-heptanol 1008.87
    ethylbenzene 1078.43
    MIBK 2636.16
    2-propoxyethanol 3235.72
    tert-butanol 5512.24
    MTBE 4967.73
    2-butoxyethanol 1518.6
    propionic acid 3204.1
    o-xylene 992.2
    formic acid 902.42
    diethyl ether 5130.51
    m-xylene 1161.66
    p-xylene 1390.99
    chlorobenzene 2850.82
    dimethyl carbonate 1031.0
    n-octane 153.56
    formamide 1495.36
    cyclopentanone 7485.02
    2-pentanone 5566.16
    anisole 1856.49
    cyclopentyl methyl ether 4347.85
    gamma-butyrolactone 6855.02
    1-methoxy-2-propanol 3701.66
    pyridine 5629.66
    3-pentanone 3312.06
    furfural 4378.81
    n-dodecane 111.97
    diethylene glycol 1737.21
    diisopropyl ether 1404.27
    tert-amyl alcohol 4297.94
    acetylacetone 4717.79
    n-hexadecane 132.91
    acetophenone 1733.21
    methyl propionate 3357.84
    isopentyl acetate 3241.7
    trichloroethylene 10358.27
    n-nonanol 1005.14
    cyclohexanol 4061.14
    benzyl alcohol 1466.03
    2-ethylhexanol 1672.3
    isooctanol 865.55
    dipropyl ether 2006.32
    1,2-dichlorobenzene 2269.54
    ethyl lactate 890.29
    propylene carbonate 3342.69
    n-methylformamide 3669.12
    2-pentanol 3488.07
    n-pentane 779.9
    1-propoxy-2-propanol 2648.05
    1-methoxy-2-propyl acetate 2448.7
    2-(2-methoxypropoxy) propanol 1474.52
    mesitylene 738.25
    ε-caprolactone 5292.95
    p-cymene 552.45
    epichlorohydrin 7111.98
    1,1,1-trichloroethane 5342.5
    2-aminoethanol 1497.64
    morpholine-4-carbaldehyde 4203.55
    sulfolane 7319.05
    2,2,4-trimethylpentane 278.26
    2-methyltetrahydrofuran 6866.96
    n-hexyl acetate 2834.45
    isooctane 253.12
    2-(2-butoxyethoxy)ethanol 2213.09
    sec-butyl acetate 1897.84
    tert-butyl acetate 2854.32
    decalin 491.1
    glycerin 1057.86
    diglyme 3661.15
    acrylic acid 2470.55
    isopropyl myristate 892.98
    n-butyric acid 5697.37
    acetyl acetate 2424.59
    di(2-ethylhexyl) phthalate 699.75
    ethyl propionate 2365.92
    nitromethane 7233.24
    1,2-diethoxyethane 3277.18
    benzonitrile 2477.2
    trioctyl phosphate 541.99
    1-bromopropane 4742.7
    gamma-valerolactone 6930.27
    n-decanol 681.92
    triethyl phosphate 672.26
    4-methyl-2-pentanol 1502.85
    propionitrile 3797.79
    vinylene carbonate 2850.88
    1,1,2-trichlorotrifluoroethane 3898.76
    DMS 1540.07
    cumene 655.55
    2-octanol 840.54
    2-hexanone 3551.67
    octyl acetate 1148.03
    limonene 1072.64
    1,2-dimethoxyethane 4902.0
    ethyl orthosilicate 679.48
    tributyl phosphate 778.74
    diacetone alcohol 2762.37
    N,N-dimethylaniline 1216.98
    acrylonitrile 4210.83
    aniline 2298.74
    1,3-propanediol 2425.96
    bromobenzene 3229.25
    dibromomethane 6316.11
    1,1,2,2-tetrachloroethane 8259.38
    2-methyl-cyclohexyl acetate 1368.25
    tetrabutyl urea 1028.68
    diisobutyl methanol 822.09
    2-phenylethanol 1489.47
    styrene 1607.66
    dioctyl adipate 1174.17
    dimethyl sulfate 1552.59
    ethyl butyrate 2117.12
    methyl lactate 1233.17
    butyl lactate 1346.81
    diethyl carbonate 1154.34
    propanediol butyl ether 1692.14
    triethyl orthoformate 1135.72
    p-tert-butyltoluene 524.52
    methyl 4-tert-butylbenzoate 1206.18
    morpholine 7399.33
    tert-butylamine 3664.5
    n-dodecanol 506.49
    dimethoxymethane 3765.66
    ethylene carbonate 2447.18
    cyrene 1085.55
    2-ethoxyethyl acetate 2117.64
    2-ethylhexyl acetate 2317.98
    1,2,4-trichlorobenzene 2411.31
    4-methylpyridine 5815.41
    dibutyl ether 2107.36
    2,6-dimethyl-4-heptanol 822.09
    DEF 5540.75
    dimethyl isosorbide 2185.93
    tetrachloroethylene 4598.65
    eugenol 1224.06
    triacetin 1757.76
    span 80 1587.28
    1,4-butanediol 908.93
    1,1-dichloroethane 6901.24
    2-methyl-1-pentanol 2475.91
    methyl formate 2329.04
    2-methyl-1-butanol 3470.88
    n-decane 208.96
    butyronitrile 5236.37
    3,7-dimethyl-1-octanol 1281.9
    1-chlorooctane 981.76
    1-chlorotetradecane 332.28
    n-nonane 221.87
    undecane 147.97
    tert-butylcyclohexane 431.5
    cyclooctane 312.62
    cyclopentanol 3823.84
    tetrahydropyran 7864.17
    tert-amyl methyl ether 3004.27
    2,5,8-trioxanonane 2320.8
    1-hexene 3612.16
    2-isopropoxyethanol 1769.45
    2,2,2-trifluoroethanol 990.77
    methyl butyrate 3833.28

    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

Botanical

Name CAS Botanical Proportion
Lavender (France) 2a 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.8%
Spike lavender (Spain) 5 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.05%