2-Hexenyl 2-propylhept-2-enoate

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  • Identifiers

    CAS number
    93917-71-6

    Molecular formula
    C16H28O2

    SMILES
    CCCC/C=C(\CCC)/C(=O)OC/C=C/CCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 78.82%
    Green 65.19%
    Herbal 48.36%
    Apple 44.41%
    Oily 44.32%
    Waxy 42.13%
    Fatty 39.81%
    Pear 38.91%
    Tropical 37.84%
    Winey 28.63%

     

    Flavor
    Green 48.99%
    Fruity 46.54%
    Herbal 44.63%
    Waxy 34.7%
    Oily 29.08%
    Pear 27.6%
    Fatty 26.67%
    Spicy 25.91%
    Apple 25.39%
    Tropical 24.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    7.5 (neutral)

    Molecular weight
    252.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 141.13 ˚C est.

  • Synonyms

    • 2-Hexenyl 2-propylhept-2-enoate
    • EINECS 299-850-5
    • 93917-71-6
    • LQNDNPGIKOBGSO-PXELCPQFSA-N
    • 93917-71-6

  • Applications

    2-Hexenyl 2-propylhept-2-enoate is used primarily as a fragrance ingredient and may function as a fixative or aroma component in perfumery. It can be incorporated into cosmetics and personal care products (fragranced creams, lotions, and shampoos) as a scent ingredient. It is also encountered in household products such as detergents and cleaning agents as a fragrance additive. In coatings, paints, and inks, it may be added to improve odor performance or as a processing aid. In polymers and plastics, it may act as a plasticizer or a processing intermediate in specialty formulations. The compound may also be evaluated as an intermediate in fragrance synthesis. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8248.63
    methanol 7394.91
    isopropanol 6723.56
    water 0.24
    ethyl acetate 12894.19
    n-propanol 7601.97
    acetone 16517.84
    n-butanol 8081.92
    acetonitrile 9891.27
    DMF 14347.09
    toluene 7568.78
    isobutanol 6904.14
    1,4-dioxane 8458.12
    methyl acetate 7814.52
    THF 11833.91
    2-butanone 13097.36
    n-pentanol 4639.93
    sec-butanol 7373.95
    n-hexane 2145.59
    ethylene glycol 412.69
    NMP 11919.35
    cyclohexane 4723.12
    DMSO 10183.75
    n-butyl acetate 8644.46
    n-octanol 1839.04
    chloroform 18564.07
    n-propyl acetate 6799.42
    acetic acid 4566.36
    dichloromethane 21858.7
    cyclohexanone 18803.99
    propylene glycol 927.28
    isopropyl acetate 7114.52
    DMAc 9190.09
    2-ethoxyethanol 3779.9
    isopentanol 6846.95
    n-heptane 738.05
    ethyl formate 5081.69
    1,2-dichloroethane 18929.05
    n-hexanol 4574.97
    2-methoxyethanol 6185.94
    isobutyl acetate 3438.99
    tetrachloromethane 3174.17
    n-pentyl acetate 4934.75
    transcutol 10431.97
    n-heptanol 1812.83
    ethylbenzene 2993.27
    MIBK 5555.97
    2-propoxyethanol 4800.02
    tert-butanol 7008.4
    MTBE 10438.01
    2-butoxyethanol 2902.23
    propionic acid 4264.47
    o-xylene 3433.69
    formic acid 813.93
    diethyl ether 12590.35
    m-xylene 3812.22
    p-xylene 3647.86
    chlorobenzene 9097.05
    dimethyl carbonate 2393.64
    n-octane 322.36
    formamide 1922.47
    cyclopentanone 13856.95
    2-pentanone 12729.75
    anisole 4566.48
    cyclopentyl methyl ether 9201.58
    gamma-butyrolactone 11722.45
    1-methoxy-2-propanol 5269.98
    pyridine 14104.42
    3-pentanone 8964.11
    furfural 8133.05
    n-dodecane 176.38
    diethylene glycol 2013.56
    diisopropyl ether 3405.08
    tert-amyl alcohol 6946.61
    acetylacetone 8337.5
    n-hexadecane 217.02
    acetophenone 4194.89
    methyl propionate 8099.37
    isopentyl acetate 6782.55
    trichloroethylene 28363.55
    n-nonanol 1530.86
    cyclohexanol 8465.2
    benzyl alcohol 3119.73
    2-ethylhexanol 2875.01
    isooctanol 1655.25
    dipropyl ether 3884.26
    1,2-dichlorobenzene 6721.22
    ethyl lactate 1590.56
    propylene carbonate 6368.5
    n-methylformamide 6066.27
    2-pentanol 6438.35
    n-pentane 2000.62
    1-propoxy-2-propanol 3907.66
    1-methoxy-2-propyl acetate 4429.2
    2-(2-methoxypropoxy) propanol 1858.21
    mesitylene 2092.54
    ε-caprolactone 11977.74
    p-cymene 1307.43
    epichlorohydrin 15371.41
    1,1,1-trichloroethane 15448.47
    2-aminoethanol 1668.86
    morpholine-4-carbaldehyde 7543.77
    sulfolane 10880.11
    2,2,4-trimethylpentane 743.51
    2-methyltetrahydrofuran 12985.95
    n-hexyl acetate 5509.01
    isooctane 561.44
    2-(2-butoxyethoxy)ethanol 2976.5
    sec-butyl acetate 4296.34
    tert-butyl acetate 5870.22
    decalin 1184.18
    glycerin 919.14
    diglyme 6043.35
    acrylic acid 2996.2
    isopropyl myristate 1529.83
    n-butyric acid 8834.81
    acetyl acetate 4901.48
    di(2-ethylhexyl) phthalate 1020.23
    ethyl propionate 5781.42
    nitromethane 9529.12
    1,2-diethoxyethane 6450.82
    benzonitrile 5782.87
    trioctyl phosphate 856.18
    1-bromopropane 13563.81
    gamma-valerolactone 13279.73
    n-decanol 997.41
    triethyl phosphate 1268.39
    4-methyl-2-pentanol 2611.34
    propionitrile 8524.34
    vinylene carbonate 5332.7
    1,1,2-trichlorotrifluoroethane 6435.5
    DMS 3180.37
    cumene 1602.91
    2-octanol 1587.07
    2-hexanone 6499.18
    octyl acetate 1963.23
    limonene 2627.84
    1,2-dimethoxyethane 7288.43
    ethyl orthosilicate 1353.74
    tributyl phosphate 1219.11
    diacetone alcohol 4327.15
    N,N-dimethylaniline 2808.29
    acrylonitrile 8058.32
    aniline 6350.39
    1,3-propanediol 3001.78
    bromobenzene 10469.48
    dibromomethane 16012.39
    1,1,2,2-tetrachloroethane 20291.1
    2-methyl-cyclohexyl acetate 2609.23
    tetrabutyl urea 1645.56
    diisobutyl methanol 1452.27
    2-phenylethanol 2758.79
    styrene 4664.69
    dioctyl adipate 1796.04
    dimethyl sulfate 3061.39
    ethyl butyrate 4547.86
    methyl lactate 1984.81
    butyl lactate 2641.69
    diethyl carbonate 2350.97
    propanediol butyl ether 2196.88
    triethyl orthoformate 2318.62
    p-tert-butyltoluene 1181.12
    methyl 4-tert-butylbenzoate 2286.76
    morpholine 12518.73
    tert-butylamine 5467.41
    n-dodecanol 715.13
    dimethoxymethane 7243.88
    ethylene carbonate 5108.61
    cyrene 1687.93
    2-ethoxyethyl acetate 4827.19
    2-ethylhexyl acetate 5098.53
    1,2,4-trichlorobenzene 6775.5
    4-methylpyridine 15130.96
    dibutyl ether 4085.81
    2,6-dimethyl-4-heptanol 1452.27
    DEF 12606.5
    dimethyl isosorbide 3164.76
    tetrachloroethylene 12013.57
    eugenol 2208.64
    triacetin 2852.96
    span 80 2017.55
    1,4-butanediol 1142.14
    1,1-dichloroethane 19436.58
    2-methyl-1-pentanol 4567.26
    methyl formate 3731.92
    2-methyl-1-butanol 7290.49
    n-decane 358.41
    butyronitrile 10732.36
    3,7-dimethyl-1-octanol 1991.7
    1-chlorooctane 2026.68
    1-chlorotetradecane 573.6
    n-nonane 393.26
    undecane 232.34
    tert-butylcyclohexane 874.31
    cyclooctane 1022.93
    cyclopentanol 6453.32
    tetrahydropyran 16114.18
    tert-amyl methyl ether 6953.3
    2,5,8-trioxanonane 3105.42
    1-hexene 6337.27
    2-isopropoxyethanol 2871.75
    2,2,2-trifluoroethanol 1182.56
    methyl butyrate 8838.73

    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