(Z)-Non-2-enyl butyrate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    94109-99-6

    Molecular formula
    C13H24O2

    SMILES
    CCCCCC/C=C\COC(=O)CCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 86.46%
    Waxy 68.84%
    Fatty 68.3%
    Green 64.19%
    Pear 57.72%
    Oily 46.67%
    Pineapple 45.8%
    Tropical 45.43%
    Winey 45.42%
    Apple 45.0%

     

    Flavor
    Fruity 75.37%
    Waxy 70.31%
    Green 68.92%
    Pear 54.16%
    Apple 52.79%
    Tropical 45.91%
    Sweet 37.02%
    Cognac 35.43%
    Oily 34.24%
    Wine 32.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.88 (neutral)

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point

    • 115.66 ˚C est.

  • Synonyms

    • (Z)-Non-2-enyl butyrate
    • EINECS 302-540-5
    • 94109-99-6
    • (2Z)-NON-2-EN-1-YL BUTANOATE
    • SCHEMBL25709705
    • JTZDGEKMDBKLAI-KTKRTIGZSA-N
    • DTXSID101289208
    • Butanoic acid, 2-nonenyl ester, (Z)-
    • NS00091825
    • 94109-99-6

  • Applications

    The compound (Z)-Non-2-enyl butyrate (CAS 94109-99-6) is primarily used as an odorant in fragrance formulations, providing green and fruity notes in perfumes. It is also used as a fragrance ingredient in cosmetics/personal care products and household products, and may be included as a scent additive in coatings, inks, and other consumer-product formulations, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6623.08
    methanol 6592.66
    isopropanol 6057.69
    water 0.07
    ethyl acetate 6574.8
    n-propanol 5530.51
    acetone 11520.07
    n-butanol 5035.1
    acetonitrile 5757.94
    DMF 6061.43
    toluene 2355.07
    isobutanol 4464.84
    1,4-dioxane 5780.67
    methyl acetate 4103.5
    THF 8521.79
    2-butanone 7125.62
    n-pentanol 3557.34
    sec-butanol 5497.19
    n-hexane 1915.06
    ethylene glycol 286.77
    NMP 4098.27
    cyclohexane 2349.55
    DMSO 7522.14
    n-butyl acetate 4757.11
    n-octanol 1156.71
    chloroform 8870.39
    n-propyl acetate 4332.64
    acetic acid 3281.2
    dichloromethane 9574.8
    cyclohexanone 8842.92
    propylene glycol 734.52
    isopropyl acetate 3892.62
    DMAc 3587.22
    2-ethoxyethanol 2847.13
    isopentanol 4392.44
    n-heptane 514.11
    ethyl formate 2491.84
    1,2-dichloroethane 7598.84
    n-hexanol 2953.35
    2-methoxyethanol 4402.75
    isobutyl acetate 2189.38
    tetrachloromethane 1389.86
    n-pentyl acetate 2519.18
    transcutol 8860.1
    n-heptanol 1027.77
    ethylbenzene 1271.05
    MIBK 3152.38
    2-propoxyethanol 3171.63
    tert-butanol 6193.3
    MTBE 7401.4
    2-butoxyethanol 1652.64
    propionic acid 2622.13
    o-xylene 1161.8
    formic acid 454.69
    diethyl ether 8584.12
    m-xylene 1341.33
    p-xylene 1526.65
    chlorobenzene 2819.49
    dimethyl carbonate 799.53
    n-octane 183.14
    formamide 871.13
    cyclopentanone 6891.46
    2-pentanone 7083.65
    anisole 1903.58
    cyclopentyl methyl ether 5526.11
    gamma-butyrolactone 5600.77
    1-methoxy-2-propanol 3545.52
    pyridine 5894.5
    3-pentanone 4011.54
    furfural 3327.18
    n-dodecane 102.22
    diethylene glycol 1414.41
    diisopropyl ether 2000.33
    tert-amyl alcohol 5095.95
    acetylacetone 4359.8
    n-hexadecane 124.18
    acetophenone 1705.38
    methyl propionate 3554.47
    isopentyl acetate 3595.05
    trichloroethylene 10071.04
    n-nonanol 955.87
    cyclohexanol 4983.45
    benzyl alcohol 1460.17
    2-ethylhexanol 1834.11
    isooctanol 901.3
    dipropyl ether 2858.51
    1,2-dichlorobenzene 2210.02
    ethyl lactate 922.27
    propylene carbonate 2780.31
    n-methylformamide 2605.14
    2-pentanol 4196.0
    n-pentane 1135.94
    1-propoxy-2-propanol 2727.01
    1-methoxy-2-propyl acetate 2609.55
    2-(2-methoxypropoxy) propanol 1377.8
    mesitylene 845.59
    ε-caprolactone 5599.91
    p-cymene 600.91
    epichlorohydrin 6862.8
    1,1,1-trichloroethane 6322.44
    2-aminoethanol 1164.86
    morpholine-4-carbaldehyde 3360.9
    sulfolane 5869.63
    2,2,4-trimethylpentane 372.73
    2-methyltetrahydrofuran 8786.08
    n-hexyl acetate 2967.32
    isooctane 302.3
    2-(2-butoxyethoxy)ethanol 2110.54
    sec-butyl acetate 2682.44
    tert-butyl acetate 3362.79
    decalin 636.21
    glycerin 701.58
    diglyme 3695.51
    acrylic acid 1549.16
    isopropyl myristate 885.53
    n-butyric acid 5400.91
    acetyl acetate 2436.49
    di(2-ethylhexyl) phthalate 646.2
    ethyl propionate 3167.28
    nitromethane 5350.52
    1,2-diethoxyethane 4293.63
    benzonitrile 2356.87
    trioctyl phosphate 490.47
    1-bromopropane 6527.59
    gamma-valerolactone 6528.54
    n-decanol 623.91
    triethyl phosphate 756.8
    4-methyl-2-pentanol 1713.26
    propionitrile 4109.91
    vinylene carbonate 2172.83
    1,1,2-trichlorotrifluoroethane 3433.23
    DMS 1515.22
    cumene 709.57
    2-octanol 894.56
    2-hexanone 4554.0
    octyl acetate 1089.7
    limonene 1238.13
    1,2-dimethoxyethane 5220.4
    ethyl orthosilicate 780.67
    tributyl phosphate 717.87
    diacetone alcohol 2736.7
    N,N-dimethylaniline 1166.03
    acrylonitrile 3808.5
    aniline 2515.07
    1,3-propanediol 2044.94
    bromobenzene 3301.91
    dibromomethane 7491.21
    1,1,2,2-tetrachloroethane 8174.44
    2-methyl-cyclohexyl acetate 1546.24
    tetrabutyl urea 921.21
    diisobutyl methanol 915.91
    2-phenylethanol 1403.14
    styrene 1875.06
    dioctyl adipate 1177.32
    dimethyl sulfate 1135.81
    ethyl butyrate 2635.98
    methyl lactate 992.47
    butyl lactate 1417.01
    diethyl carbonate 1315.88
    propanediol butyl ether 1491.19
    triethyl orthoformate 1374.76
    p-tert-butyltoluene 558.75
    methyl 4-tert-butylbenzoate 1176.67
    morpholine 8524.37
    tert-butylamine 4354.11
    n-dodecanol 448.55
    dimethoxymethane 3589.74
    ethylene carbonate 2086.78
    cyrene 1013.24
    2-ethoxyethyl acetate 2480.81
    2-ethylhexyl acetate 2699.07
    1,2,4-trichlorobenzene 2371.68
    4-methylpyridine 5801.03
    dibutyl ether 2854.27
    2,6-dimethyl-4-heptanol 915.91
    DEF 5655.95
    dimethyl isosorbide 2122.14
    tetrachloroethylene 5044.41
    eugenol 1108.08
    triacetin 1782.25
    span 80 1436.34
    1,4-butanediol 795.38
    1,1-dichloroethane 8043.47
    2-methyl-1-pentanol 3029.9
    methyl formate 1438.58
    2-methyl-1-butanol 4188.54
    n-decane 217.64
    butyronitrile 5733.98
    3,7-dimethyl-1-octanol 1221.41
    1-chlorooctane 1098.21
    1-chlorotetradecane 323.34
    n-nonane 244.07
    undecane 142.26
    tert-butylcyclohexane 521.37
    cyclooctane 498.48
    cyclopentanol 3980.52
    tetrahydropyran 11349.24
    tert-amyl methyl ether 4149.1
    2,5,8-trioxanonane 2212.64
    1-hexene 5226.57
    2-isopropoxyethanol 2211.43
    2,2,2-trifluoroethanol 594.74
    methyl butyrate 4673.75

    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