(Z)-3-Hexenyl nonanoate

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  • Identifiers

    CAS number
    88191-46-2

    Molecular formula
    C15H28O2

    SMILES
    CCCCCCCCC(=O)OCC/C=C\CC

    Retention indicies (RI)

    • Carbowax: 1969.0

  • Odor profile

    Green 84.33%
    Fruity 84.25%
    Waxy 68.49%
    Fatty 63.08%
    Pear 52.19%
    Oily 51.95%
    Tropical 51.47%
    Melon 46.84%
    Winey 46.2%
    Apple 45.31%

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  • Properties

    XLogP3-AA
    5.4

    Molecular weight
    240.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    289°C

    Flash point est.
    130.02 ˚C

  • Synonyms

    • (Z)-3-Hexenyl nonanoate
    • IUYCKYXEGRHRME-VURMDHGXSA-N

  • Applications

    (Z)-3-Hexenyl nonanoate (CAS 88191-46-2) is the ester of (Z)-3‑hexenol and nonanoic acid, offering a natural green fresh‑cut leaf character with ripe fruity facets (apple, pear, banana, melon) and a soft waxy‑fat nuance, with moderate volatility and good substantivity; it is used in perfumery to add green‑fruity freshness and naturality to citrus, floral, tea, melon and tomato‑leaf accords across fine fragrances, personal care, detergents, fabric softeners, candles and air care, helping bridge top to heart and boosting bloom and fabric cling; in flavor applications it is dosed at trace‑to‑ppm levels to enhance freshness and realism in apple, pear, banana, melon, berry, tropical, green tea and vegetable profiles; it is also employed as a GLV sensory/analytical standard, in controlled‑release and pro‑fragrance studies, and plant‑volatile interaction research; it blends well with cis‑3‑hexenyl acetate/alcohol, linalool and green aldehydes; note susceptibility to hydrolysis in alkaline aqueous bases, so pre‑dilute and store tightly sealed, cool and away from oxidants.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4474.06
    methanol 4311.21
    isopropanol 4179.41
    water 0.05
    ethyl acetate 6470.34
    n-propanol 3909.29
    acetone 9690.48
    n-butanol 3710.81
    acetonitrile 4161.59
    DMF 5941.01
    toluene 2559.02
    isobutanol 3276.21
    1,4-dioxane 5317.61
    methyl acetate 3811.57
    THF 8289.69
    2-butanone 6323.54
    n-pentanol 2464.42
    sec-butanol 3781.09
    n-hexane 1446.69
    ethylene glycol 199.38
    NMP 4817.6
    cyclohexane 2287.65
    DMSO 7778.06
    n-butyl acetate 4537.68
    n-octanol 928.5
    chloroform 7992.0
    n-propyl acetate 4305.29
    acetic acid 2407.65
    dichloromethane 9425.43
    cyclohexanone 9066.09
    propylene glycol 491.61
    isopropyl acetate 4212.28
    DMAc 4297.15
    2-ethoxyethanol 2397.0
    isopentanol 3454.36
    n-heptane 502.15
    ethyl formate 2163.85
    1,2-dichloroethane 7886.49
    n-hexanol 2176.1
    2-methoxyethanol 3637.18
    isobutyl acetate 2307.98
    tetrachloromethane 1508.56
    n-pentyl acetate 2793.13
    transcutol 8807.22
    n-heptanol 861.93
    ethylbenzene 1273.25
    MIBK 3402.85
    2-propoxyethanol 2744.74
    tert-butanol 4676.4
    MTBE 6944.76
    2-butoxyethanol 1581.8
    propionic acid 2061.18
    o-xylene 1361.56
    formic acid 363.27
    diethyl ether 7934.0
    m-xylene 1539.59
    p-xylene 1575.06
    chlorobenzene 2854.0
    dimethyl carbonate 922.35
    n-octane 168.06
    formamide 780.46
    cyclopentanone 7257.38
    2-pentanone 6774.09
    anisole 1939.77
    cyclopentyl methyl ether 5736.73
    gamma-butyrolactone 5825.54
    1-methoxy-2-propanol 3113.8
    pyridine 5475.07
    3-pentanone 4161.9
    furfural 3512.82
    n-dodecane 89.81
    diethylene glycol 1233.02
    diisopropyl ether 2036.99
    tert-amyl alcohol 3918.92
    acetylacetone 4677.16
    n-hexadecane 111.63
    acetophenone 1772.27
    methyl propionate 3654.19
    isopentyl acetate 3701.53
    trichloroethylene 10291.43
    n-nonanol 792.9
    cyclohexanol 4342.04
    benzyl alcohol 1334.41
    2-ethylhexanol 1564.11
    isooctanol 801.0
    dipropyl ether 2817.59
    1,2-dichlorobenzene 2431.32
    ethyl lactate 898.05
    propylene carbonate 2823.82
    n-methylformamide 2319.87
    2-pentanol 3134.04
    n-pentane 943.44
    1-propoxy-2-propanol 2531.23
    1-methoxy-2-propyl acetate 2877.95
    2-(2-methoxypropoxy) propanol 1351.44
    mesitylene 994.53
    ε-caprolactone 5883.01
    p-cymene 652.31
    epichlorohydrin 7085.59
    1,1,1-trichloroethane 6534.03
    2-aminoethanol 823.4
    morpholine-4-carbaldehyde 3708.08
    sulfolane 6404.63
    2,2,4-trimethylpentane 357.16
    2-methyltetrahydrofuran 8329.79
    n-hexyl acetate 3149.66
    isooctane 281.94
    2-(2-butoxyethoxy)ethanol 2036.02
    sec-butyl acetate 2897.06
    tert-butyl acetate 3840.38
    decalin 659.3
    glycerin 542.61
    diglyme 3952.18
    acrylic acid 1202.34
    isopropyl myristate 886.33
    n-butyric acid 4477.59
    acetyl acetate 2582.01
    di(2-ethylhexyl) phthalate 650.4
    ethyl propionate 3440.23
    nitromethane 4716.06
    1,2-diethoxyethane 4539.2
    benzonitrile 2156.28
    trioctyl phosphate 495.71
    1-bromopropane 6113.3
    gamma-valerolactone 6978.38
    n-decanol 517.95
    triethyl phosphate 841.17
    4-methyl-2-pentanol 1451.29
    propionitrile 3224.58
    vinylene carbonate 2190.97
    1,1,2-trichlorotrifluoroethane 3361.84
    DMS 1739.03
    cumene 751.33
    2-octanol 778.51
    2-hexanone 4115.29
    octyl acetate 1077.98
    limonene 1369.32
    1,2-dimethoxyethane 4734.17
    ethyl orthosilicate 885.65
    tributyl phosphate 754.3
    diacetone alcohol 2844.85
    N,N-dimethylaniline 1264.8
    acrylonitrile 2991.4
    aniline 2367.34
    1,3-propanediol 1603.0
    bromobenzene 3501.27
    dibromomethane 7080.49
    1,1,2,2-tetrachloroethane 8489.49
    2-methyl-cyclohexyl acetate 1685.62
    tetrabutyl urea 978.88
    diisobutyl methanol 870.27
    2-phenylethanol 1316.24
    styrene 1838.75
    dioctyl adipate 1249.24
    dimethyl sulfate 1382.24
    ethyl butyrate 2784.07
    methyl lactate 950.57
    butyl lactate 1510.61
    diethyl carbonate 1397.13
    propanediol butyl ether 1348.21
    triethyl orthoformate 1553.67
    p-tert-butyltoluene 610.57
    methyl 4-tert-butylbenzoate 1323.54
    morpholine 7711.21
    tert-butylamine 3210.39
    n-dodecanol 379.02
    dimethoxymethane 3613.2
    ethylene carbonate 2173.25
    cyrene 1037.96
    2-ethoxyethyl acetate 2853.21
    2-ethylhexyl acetate 2905.34
    1,2,4-trichlorobenzene 2604.82
    4-methylpyridine 5704.51
    dibutyl ether 2875.79
    2,6-dimethyl-4-heptanol 870.27
    DEF 5913.81
    dimethyl isosorbide 2306.67
    tetrachloroethylene 5359.58
    eugenol 1154.95
    triacetin 1996.8
    span 80 1355.05
    1,4-butanediol 595.37
    1,1-dichloroethane 7537.14
    2-methyl-1-pentanol 2232.48
    methyl formate 1318.81
    2-methyl-1-butanol 3276.78
    n-decane 196.62
    butyronitrile 4393.2
    3,7-dimethyl-1-octanol 1059.04
    1-chlorooctane 1034.44
    1-chlorotetradecane 298.07
    n-nonane 217.37
    undecane 123.3
    tert-butylcyclohexane 502.65
    cyclooctane 528.6
    cyclopentanol 3501.48
    tetrahydropyran 10492.31
    tert-amyl methyl ether 4092.79
    2,5,8-trioxanonane 2282.86
    1-hexene 3826.13
    2-isopropoxyethanol 1952.83
    2,2,2-trifluoroethanol 550.96
    methyl butyrate 4673.55

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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
Genet absolute 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.09%
Lavender (France) 2a 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.02%
Tejpat leaf Cinnamomum tamala (Ham.) Nees et Eberm., fam. Lauraceae 0.2%
Laurel leaf (Turkey) 2c CO2-extracted 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.3%