(Z)-Hex-3-enyl pivalate

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  • Identifiers

    CAS number
    84604-59-1

    Molecular formula
    C11H20O2

    SMILES
    CC/C=C\CCOC(=O)C(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 92.14%
    Fruity 89.04%
    Apple 65.77%
    Tropical 60.72%
    Fresh 57.72%
    Sweet 52.49%
    Floral 50.25%
    Pear 50.04%
    Melon 48.95%
    Waxy 48.45%

     

    Flavor
    Fruity 84.09%
    Green 77.68%
    Apple 61.14%
    Sweet 50.99%
    Tropical 48.22%
    Floral 45.6%
    Pear 43.08%
    Fresh 39.85%
    Banana 36.96%
    Rose 36.15%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.4 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    202°C

    Flash point

    • 74.91 ˚C est.

  • Synonyms

    • (Z)-Hex-3-enyl pivalate
    • 84604-59-1
    • EINECS 283-340-4
    • (3Z)-HEX-3-EN-1-YL 2,2-DIMETHYLPROPANOATE
    • SCHEMBL12044950
    • JGXBXELJDMGEAB-SREVYHEPSA-N
    • DTXSID101220062
    • NS00060595
    • Propanoic acid, 2,2-dimethyl-, 3-hexenyl ester, (Z)-
    • 84604-59-1

  • Applications

    (Z)-Hex-3-enyl pivalate (CAS 84604-59-1) is the pivalic acid ester of cis-3-hexen-1-ol and is primarily encountered in fragrance chemistry as an aroma ingredient; it is commonly evaluated for use in perfumery and in cosmetics/personal care formulations to contribute green, leafy notes; in household products such as air fresheners and cleaners it may be used as a fragrance component; and in industrial manufacturing it can serve as an intermediate for the synthesis of related aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3061.02
    methanol 2657.18
    isopropanol 3237.13
    water 1.75
    ethyl acetate 4348.17
    n-propanol 2757.49
    acetone 3794.53
    n-butanol 3057.38
    acetonitrile 3028.76
    DMF 3662.58
    toluene 2111.73
    isobutanol 2903.08
    1,4-dioxane 3706.33
    methyl acetate 3018.98
    THF 4311.36
    2-butanone 3492.66
    n-pentanol 2411.45
    sec-butanol 3713.65
    n-hexane 2353.89
    ethylene glycol 300.76
    NMP 2992.8
    cyclohexane 2043.89
    DMSO 1933.22
    n-butyl acetate 4300.18
    n-octanol 2065.99
    chloroform 8276.11
    n-propyl acetate 3029.5
    acetic acid 2609.6
    dichloromethane 6143.48
    cyclohexanone 4433.03
    propylene glycol 607.38
    isopropyl acetate 3423.97
    DMAc 3451.69
    2-ethoxyethanol 2384.53
    isopentanol 3423.62
    n-heptane 954.27
    ethyl formate 2113.03
    1,2-dichloroethane 4038.57
    n-hexanol 3103.78
    2-methoxyethanol 2952.91
    isobutyl acetate 2164.79
    tetrachloromethane 2193.07
    n-pentyl acetate 2626.31
    transcutol 6665.73
    n-heptanol 1736.25
    ethylbenzene 1833.22
    MIBK 2635.23
    2-propoxyethanol 3061.58
    tert-butanol 4869.52
    MTBE 5840.79
    2-butoxyethanol 2247.1
    propionic acid 2014.58
    o-xylene 1763.52
    formic acid 638.18
    diethyl ether 4501.97
    m-xylene 1842.5
    p-xylene 2413.86
    chlorobenzene 2378.69
    dimethyl carbonate 1014.77
    n-octane 502.22
    formamide 911.99
    cyclopentanone 3631.06
    2-pentanone 3738.14
    anisole 2328.1
    cyclopentyl methyl ether 3451.86
    gamma-butyrolactone 3503.36
    1-methoxy-2-propanol 2597.33
    pyridine 2744.73
    3-pentanone 2751.26
    furfural 2810.09
    n-dodecane 282.44
    diethylene glycol 1432.93
    diisopropyl ether 2266.0
    tert-amyl alcohol 5227.97
    acetylacetone 2959.39
    n-hexadecane 322.05
    acetophenone 2117.12
    methyl propionate 2476.54
    isopentyl acetate 3930.57
    trichloroethylene 7443.67
    n-nonanol 1683.92
    cyclohexanol 3281.55
    benzyl alcohol 1518.13
    2-ethylhexanol 2458.97
    isooctanol 1609.85
    dipropyl ether 2563.04
    1,2-dichlorobenzene 2374.18
    ethyl lactate 1013.9
    propylene carbonate 2586.14
    n-methylformamide 1794.95
    2-pentanol 3381.43
    n-pentane 1430.7
    1-propoxy-2-propanol 2730.5
    1-methoxy-2-propyl acetate 2714.44
    2-(2-methoxypropoxy) propanol 1679.75
    mesitylene 1357.12
    ε-caprolactone 3805.56
    p-cymene 1191.97
    epichlorohydrin 4128.55
    1,1,1-trichloroethane 6295.5
    2-aminoethanol 928.18
    morpholine-4-carbaldehyde 3092.22
    sulfolane 3170.77
    2,2,4-trimethylpentane 850.58
    2-methyltetrahydrofuran 4447.06
    n-hexyl acetate 3803.15
    isooctane 690.37
    2-(2-butoxyethoxy)ethanol 2483.33
    sec-butyl acetate 2607.82
    tert-butyl acetate 3491.43
    decalin 1070.94
    glycerin 664.38
    diglyme 3846.94
    acrylic acid 1449.74
    isopropyl myristate 1186.87
    n-butyric acid 3718.6
    acetyl acetate 2272.24
    di(2-ethylhexyl) phthalate 831.4
    ethyl propionate 2528.21
    nitromethane 3559.23
    1,2-diethoxyethane 3374.72
    benzonitrile 2358.6
    trioctyl phosphate 713.81
    1-bromopropane 3774.44
    gamma-valerolactone 4094.32
    n-decanol 1167.52
    triethyl phosphate 909.95
    4-methyl-2-pentanol 2074.28
    propionitrile 2599.09
    vinylene carbonate 2347.1
    1,1,2-trichlorotrifluoroethane 2881.74
    DMS 1769.58
    cumene 1366.7
    2-octanol 1628.78
    2-hexanone 2846.91
    octyl acetate 1501.07
    limonene 1909.9
    1,2-dimethoxyethane 3869.72
    ethyl orthosilicate 1040.13
    tributyl phosphate 982.99
    diacetone alcohol 2706.3
    N,N-dimethylaniline 1843.07
    acrylonitrile 2515.21
    aniline 1783.44
    1,3-propanediol 1587.6
    bromobenzene 2871.46
    dibromomethane 4812.94
    1,1,2,2-tetrachloroethane 6785.36
    2-methyl-cyclohexyl acetate 1830.95
    tetrabutyl urea 1081.97
    diisobutyl methanol 1350.54
    2-phenylethanol 1680.49
    styrene 1883.06
    dioctyl adipate 1279.9
    dimethyl sulfate 1293.3
    ethyl butyrate 2568.41
    methyl lactate 939.74
    butyl lactate 1646.21
    diethyl carbonate 1548.57
    propanediol butyl ether 1959.34
    triethyl orthoformate 1580.05
    p-tert-butyltoluene 1140.03
    methyl 4-tert-butylbenzoate 1681.9
    morpholine 4169.96
    tert-butylamine 3991.89
    n-dodecanol 846.44
    dimethoxymethane 2457.66
    ethylene carbonate 2084.28
    cyrene 1149.05
    2-ethoxyethyl acetate 2432.15
    2-ethylhexyl acetate 3243.43
    1,2,4-trichlorobenzene 2468.6
    4-methylpyridine 3894.71
    dibutyl ether 2859.66
    2,6-dimethyl-4-heptanol 1350.54
    DEF 3960.4
    dimethyl isosorbide 2334.45
    tetrachloroethylene 4532.71
    eugenol 1437.73
    triacetin 2021.74
    span 80 1627.39
    1,4-butanediol 820.77
    1,1-dichloroethane 5669.59
    2-methyl-1-pentanol 2710.78
    methyl formate 1396.05
    2-methyl-1-butanol 3235.77
    n-decane 558.28
    butyronitrile 3512.71
    3,7-dimethyl-1-octanol 2017.05
    1-chlorooctane 1807.5
    1-chlorotetradecane 607.82
    n-nonane 658.23
    undecane 370.95
    tert-butylcyclohexane 1134.15
    cyclooctane 841.43
    cyclopentanol 2460.71
    tetrahydropyran 4835.32
    tert-amyl methyl ether 4673.36
    2,5,8-trioxanonane 2263.19
    1-hexene 3813.53
    2-isopropoxyethanol 2173.53
    2,2,2-trifluoroethanol 868.46
    methyl butyrate 3415.16

    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