Propyl (E)-hex-2-enoate

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  • Identifiers

    CAS number
    10380-79-7

    Molecular formula
    C9H16O2

    SMILES
    CCC/C=C/C(=O)OCCC

  • Odor profile

    Fragrance
    Fruity 94.95%
    Green 86.04%
    Apple 66.21%
    Tropical 59.39%
    Pineapple 57.53%
    Pear 54.24%
    Fresh 52.73%
    Sweet 48.75%
    Waxy 47.11%
    Banana 46.62%

     

    Flavor
    Fruity 74.62%
    Green 68.88%
    Apple 44.94%
    Fatty 37.22%
    Sweet 36.71%
    Pineapple 36.04%
    Tropical 35.49%
    Pear 32.38%
    Vegetable 31.16%
    Fruit 28.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.84 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    196°C

    Flash point

    • 69.87 ˚C est.

  • Synonyms

    • Propyl (E)-hex-2-enoate
    • 10380-79-7
    • EINECS 233-842-4
    • SCHEMBL6658417
    • YYHOZECIUCTJDJ-VOTSOKGWSA-N
    • DTXSID301294031
    • 2-Hexenoic acid, propyl ester, (E)-
    • NS00052900

  • Applications

    Propyl (E)-hex-2-enoate (CAS 10380-79-7), also known as propyl crotonate, is typically used as an aroma chemical and fragrance ingredient in perfumery, contributing green and fruity notes. It may also serve as a flavoring component in certain flavor formulations. In chemical synthesis, it functions as an intermediate for preparing crotonate-derived compounds. Additionally, it can be used as a fragrance additive or processing aid in household cleaning products and coatings/inks, and in cosmetics/personal care formulations where scent is required, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3708.06
    methanol 4090.95
    isopropanol 2744.69
    water 0.65
    ethyl acetate 2235.54
    n-propanol 2574.06
    acetone 4018.86
    n-butanol 2574.1
    acetonitrile 2246.51
    DMF 5255.24
    toluene 994.99
    isobutanol 2137.27
    1,4-dioxane 2620.11
    methyl acetate 1842.94
    THF 3810.5
    2-butanone 2430.62
    n-pentanol 1738.5
    sec-butanol 2442.47
    n-hexane 573.37
    ethylene glycol 480.95
    NMP 3426.61
    cyclohexane 828.3
    DMSO 3828.49
    n-butyl acetate 2423.21
    n-octanol 878.04
    chloroform 4830.5
    n-propyl acetate 1427.38
    acetic acid 3188.51
    dichloromethane 4674.25
    cyclohexanone 3485.16
    propylene glycol 723.18
    isopropyl acetate 1374.16
    DMAc 2777.85
    2-ethoxyethanol 1426.11
    isopentanol 2160.5
    n-heptane 262.77
    ethyl formate 1491.92
    1,2-dichloroethane 3390.12
    n-hexanol 2080.99
    2-methoxyethanol 2634.21
    isobutyl acetate 848.45
    tetrachloromethane 702.01
    n-pentyl acetate 1117.79
    transcutol 4323.04
    n-heptanol 717.59
    ethylbenzene 614.53
    MIBK 1246.04
    2-propoxyethanol 2154.95
    tert-butanol 3041.16
    MTBE 2289.22
    2-butoxyethanol 1025.17
    propionic acid 1808.45
    o-xylene 594.03
    formic acid 686.5
    diethyl ether 2237.34
    m-xylene 659.11
    p-xylene 785.64
    chlorobenzene 1648.05
    dimethyl carbonate 595.85
    n-octane 115.19
    formamide 932.59
    cyclopentanone 3374.72
    2-pentanone 2285.52
    anisole 1095.11
    cyclopentyl methyl ether 1929.55
    gamma-butyrolactone 3324.49
    1-methoxy-2-propanol 2003.7
    pyridine 2915.35
    3-pentanone 1399.79
    furfural 2594.33
    n-dodecane 91.88
    diethylene glycol 1292.22
    diisopropyl ether 651.98
    tert-amyl alcohol 2474.01
    acetylacetone 2022.11
    n-hexadecane 106.0
    acetophenone 1041.57
    methyl propionate 1553.46
    isopentyl acetate 1930.52
    trichloroethylene 5713.93
    n-nonanol 701.03
    cyclohexanol 2268.91
    benzyl alcohol 954.67
    2-ethylhexanol 1146.26
    isooctanol 584.75
    dipropyl ether 1110.57
    1,2-dichlorobenzene 1354.23
    ethyl lactate 535.28
    propylene carbonate 1929.94
    n-methylformamide 2009.88
    2-pentanol 1901.5
    n-pentane 467.66
    1-propoxy-2-propanol 1667.12
    1-methoxy-2-propyl acetate 1399.13
    2-(2-methoxypropoxy) propanol 939.18
    mesitylene 433.85
    ε-caprolactone 2698.78
    p-cymene 405.73
    epichlorohydrin 3621.08
    1,1,1-trichloroethane 2802.7
    2-aminoethanol 1070.42
    morpholine-4-carbaldehyde 2438.09
    sulfolane 3539.55
    2,2,4-trimethylpentane 189.04
    2-methyltetrahydrofuran 3137.99
    n-hexyl acetate 1608.27
    isooctane 166.4
    2-(2-butoxyethoxy)ethanol 1316.96
    sec-butyl acetate 955.51
    tert-butyl acetate 1390.09
    decalin 296.48
    glycerin 774.64
    diglyme 2224.2
    acrylic acid 1513.92
    isopropyl myristate 549.6
    n-butyric acid 3054.65
    acetyl acetate 1267.06
    di(2-ethylhexyl) phthalate 473.48
    ethyl propionate 1124.42
    nitromethane 3492.09
    1,2-diethoxyethane 1730.48
    benzonitrile 1556.52
    trioctyl phosphate 364.7
    1-bromopropane 2415.97
    gamma-valerolactone 3405.07
    n-decanol 482.81
    triethyl phosphate 456.61
    4-methyl-2-pentanol 902.59
    propionitrile 1889.97
    vinylene carbonate 1706.97
    1,1,2-trichlorotrifluoroethane 2295.18
    DMS 910.53
    cumene 402.33
    2-octanol 580.35
    2-hexanone 1563.49
    octyl acetate 720.71
    limonene 740.07
    1,2-dimethoxyethane 2617.93
    ethyl orthosilicate 452.08
    tributyl phosphate 483.75
    diacetone alcohol 1411.56
    N,N-dimethylaniline 778.36
    acrylonitrile 2184.1
    aniline 1299.94
    1,3-propanediol 1598.52
    bromobenzene 1826.39
    dibromomethane 3414.11
    1,1,2,2-tetrachloroethane 4462.9
    2-methyl-cyclohexyl acetate 835.84
    tetrabutyl urea 642.64
    diisobutyl methanol 577.5
    2-phenylethanol 1040.99
    styrene 896.99
    dioctyl adipate 731.3
    dimethyl sulfate 852.4
    ethyl butyrate 1233.81
    methyl lactate 722.62
    butyl lactate 797.59
    diethyl carbonate 736.66
    propanediol butyl ether 1086.03
    triethyl orthoformate 731.35
    p-tert-butyltoluene 386.81
    methyl 4-tert-butylbenzoate 786.79
    morpholine 3689.71
    tert-butylamine 2061.38
    n-dodecanol 360.31
    dimethoxymethane 1950.98
    ethylene carbonate 1418.57
    cyrene 693.04
    2-ethoxyethyl acetate 1213.32
    2-ethylhexyl acetate 1398.02
    1,2,4-trichlorobenzene 1435.04
    4-methylpyridine 2971.31
    dibutyl ether 1096.81
    2,6-dimethyl-4-heptanol 577.5
    DEF 2678.77
    dimethyl isosorbide 1342.37
    tetrachloroethylene 2747.7
    eugenol 850.27
    triacetin 1010.55
    span 80 998.89
    1,4-butanediol 691.76
    1,1-dichloroethane 3503.84
    2-methyl-1-pentanol 1476.4
    methyl formate 1342.94
    2-methyl-1-butanol 2024.19
    n-decane 159.55
    butyronitrile 2639.96
    3,7-dimethyl-1-octanol 819.69
    1-chlorooctane 621.3
    1-chlorotetradecane 228.6
    n-nonane 168.53
    undecane 116.87
    tert-butylcyclohexane 263.36
    cyclooctane 202.97
    cyclopentanol 2192.26
    tetrahydropyran 3570.55
    tert-amyl methyl ether 1530.16
    2,5,8-trioxanonane 1476.85
    1-hexene 1616.3
    2-isopropoxyethanol 1069.99
    2,2,2-trifluoroethanol 648.44
    methyl butyrate 1806.48

    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