Allyl nonanoate

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  • Identifiers

    CAS number
    7493-72-3

    Molecular formula
    C12H22O2

    SMILES
    CCCCCCCCC(=O)OCC=C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 93.51%
    Sweet 70.47%
    Fatty 69.6%
    Pineapple 67.45%
    Waxy 67.31%
    Winey 63.11%
    Cognac 49.07%
    Green 48.56%
    Oily 48.05%
    Apricot 44.31%

     

    Flavor
    Fruity 75.62%
    Waxy 60.34%
    Green 58.46%
    Tropical 41.35%
    Pear 41.08%
    Apple 39.1%
    Sweet 39.09%
    Oily 37.63%
    Pineapple 36.63%
    Fatty 36.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.76 (neutral)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 189 to 196 °F at 3 mmHg (NTP, 1992)
    • 151.00 °C. @ 50.00 mm Hg

    Flash point

    • 100.88 ˚C est.
    • 84 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Insoluble in water, soluble in essential oils, flavour chemicals, and ethanol

  • Synonyms

    • ALLYL NONANOATE
    • 7493-72-3
    • Allyl pelargonate
    • Nonanoic acid, 2-propenyl ester
    • prop-2-enyl nonanoate
    • Nonanoic acid, allyl ester
    • Allyl nonylate
    • 2-Propenyl nonanoate
    • 2-Propenyl pelargonate
    • Allyl nonan-1-oate
    • Allyl n-nonanoate
    • FEMA No. 2036
    • Nonanoic acid, 2-propen-1-yl ester
    • GKV2G6HUKE
    • UNII-GKV2G6HUKE
    • PROP-2-EN-1-YL NONANOATE
    • EINECS 231-334-7
    • NSC 20974
    • DTXSID3024447
    • AI3-36010
    • NSC-20974
    • ALLYL NONANOATE [FHFI]
    • DTXCID204447
    • Nonanoic acid, allyl ester (8CI)
    • Nonanoic acid,2-propen-1-yl ester
    • Nonanoic Acid Allyl Ester
    • MFCD00038344
    • Fema2036
    • Allyl nonanoate, >=97%
    • Pelargonic Acid Allyl Ester
    • MLS002415711
    • SCHEMBL435885
    • CHEMBL1506537
    • CHEBI:171828
    • HMS3039E05
    • NSC20974
    • Tox21_200173
    • LMFA07010778
    • AKOS006239760
    • HY-W127576
    • NCGC00091200-01
    • NCGC00091200-02
    • NCGC00257727-01
    • SMR001370894
    • CAS-7493-72-3
    • A2679
    • CS-0185797
    • NS00011946
    • D88528
    • Q27279149
    • 231-334-7

  • Applications

    Allyl nonanoate (CAS 7493-72-3) is primarily used as a fragrance ingredient in perfumery and cosmetic formulations, providing fruity notes and functioning as a fixative to help extend scent life. It is also employed in household products such as air fresheners and scented cleaners to impart a characteristic fruity aroma. In coatings, inks, and related formulations, it may be added as a fragrance additive to introduce or modulate odor profiles. The compound can serve as an intermediate in fragrance chemistry and ester synthesis for downstream fragrance compounds. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2699.23
    methanol 2583.8
    isopropanol 2341.79
    water 0.03
    ethyl acetate 3597.69
    n-propanol 2223.91
    acetone 4722.35
    n-butanol 2066.67
    acetonitrile 2191.01
    DMF 2976.04
    toluene 1224.83
    isobutanol 1736.97
    1,4-dioxane 2638.49
    methyl acetate 2224.57
    THF 4710.45
    2-butanone 3712.54
    n-pentanol 1652.4
    sec-butanol 2263.57
    n-hexane 759.65
    ethylene glycol 119.38
    NMP 2136.78
    cyclohexane 849.95
    DMSO 3766.88
    n-butyl acetate 3225.12
    n-octanol 648.68
    chloroform 3846.02
    n-propyl acetate 2575.49
    acetic acid 1295.65
    dichloromethane 4400.78
    cyclohexanone 4765.63
    propylene glycol 303.19
    isopropyl acetate 2275.02
    DMAc 2144.78
    2-ethoxyethanol 1401.75
    isopentanol 1994.04
    n-heptane 267.45
    ethyl formate 1323.87
    1,2-dichloroethane 3414.58
    n-hexanol 1662.31
    2-methoxyethanol 2025.42
    isobutyl acetate 1372.79
    tetrachloromethane 578.8
    n-pentyl acetate 1532.55
    transcutol 5229.31
    n-heptanol 569.78
    ethylbenzene 759.21
    MIBK 1703.44
    2-propoxyethanol 1994.6
    tert-butanol 2626.25
    MTBE 3346.6
    2-butoxyethanol 974.35
    propionic acid 1170.53
    o-xylene 709.36
    formic acid 185.19
    diethyl ether 3708.6
    m-xylene 811.93
    p-xylene 906.25
    chlorobenzene 1564.24
    dimethyl carbonate 418.13
    n-octane 98.31
    formamide 342.75
    cyclopentanone 3860.36
    2-pentanone 3531.21
    anisole 1135.44
    cyclopentyl methyl ether 2797.04
    gamma-butyrolactone 3084.86
    1-methoxy-2-propanol 1783.4
    pyridine 2902.81
    3-pentanone 2061.42
    furfural 2063.13
    n-dodecane 58.13
    diethylene glycol 805.87
    diisopropyl ether 971.43
    tert-amyl alcohol 2362.05
    acetylacetone 2492.59
    n-hexadecane 70.2
    acetophenone 1109.02
    methyl propionate 1881.76
    isopentyl acetate 2490.85
    trichloroethylene 5021.62
    n-nonanol 545.34
    cyclohexanol 2062.62
    benzyl alcohol 831.34
    2-ethylhexanol 1132.74
    isooctanol 514.92
    dipropyl ether 1691.55
    1,2-dichlorobenzene 1306.93
    ethyl lactate 535.58
    propylene carbonate 1645.26
    n-methylformamide 1117.13
    2-pentanol 1855.95
    n-pentane 403.25
    1-propoxy-2-propanol 1739.52
    1-methoxy-2-propyl acetate 1782.61
    2-(2-methoxypropoxy) propanol 921.08
    mesitylene 515.53
    ε-caprolactone 3099.41
    p-cymene 411.36
    epichlorohydrin 3704.71
    1,1,1-trichloroethane 3011.78
    2-aminoethanol 444.64
    morpholine-4-carbaldehyde 1866.85
    sulfolane 3050.57
    2,2,4-trimethylpentane 170.24
    2-methyltetrahydrofuran 4200.13
    n-hexyl acetate 1775.79
    isooctane 144.46
    2-(2-butoxyethoxy)ethanol 1319.08
    sec-butyl acetate 1633.42
    tert-butyl acetate 2007.7
    decalin 301.91
    glycerin 301.83
    diglyme 2388.21
    acrylic acid 689.92
    isopropyl myristate 554.38
    n-butyric acid 2587.97
    acetyl acetate 1394.01
    di(2-ethylhexyl) phthalate 421.5
    ethyl propionate 1867.44
    nitromethane 2364.17
    1,2-diethoxyethane 2591.08
    benzonitrile 1386.16
    trioctyl phosphate 309.32
    1-bromopropane 2843.6
    gamma-valerolactone 3492.9
    n-decanol 367.69
    triethyl phosphate 506.16
    4-methyl-2-pentanol 876.6
    propionitrile 1868.05
    vinylene carbonate 1280.39
    1,1,2-trichlorotrifluoroethane 1730.43
    DMS 966.86
    cumene 441.93
    2-octanol 491.3
    2-hexanone 2600.54
    octyl acetate 665.39
    limonene 781.59
    1,2-dimethoxyethane 2978.11
    ethyl orthosilicate 515.49
    tributyl phosphate 455.81
    diacetone alcohol 1574.97
    N,N-dimethylaniline 716.78
    acrylonitrile 1779.38
    aniline 1130.61
    1,3-propanediol 849.5
    bromobenzene 1856.23
    dibromomethane 3339.48
    1,1,2,2-tetrachloroethane 4033.03
    2-methyl-cyclohexyl acetate 1050.91
    tetrabutyl urea 578.63
    diisobutyl methanol 586.73
    2-phenylethanol 886.99
    styrene 1035.31
    dioctyl adipate 750.08
    dimethyl sulfate 631.01
    ethyl butyrate 1778.23
    methyl lactate 517.35
    butyl lactate 879.17
    diethyl carbonate 904.74
    propanediol butyl ether 823.92
    triethyl orthoformate 919.2
    p-tert-butyltoluene 391.21
    methyl 4-tert-butylbenzoate 755.93
    morpholine 3752.95
    tert-butylamine 1662.77
    n-dodecanol 271.3
    dimethoxymethane 1815.57
    ethylene carbonate 1205.93
    cyrene 664.24
    2-ethoxyethyl acetate 1527.99
    2-ethylhexyl acetate 1871.52
    1,2,4-trichlorobenzene 1411.51
    4-methylpyridine 3062.05
    dibutyl ether 1629.0
    2,6-dimethyl-4-heptanol 586.73
    DEF 2850.73
    dimethyl isosorbide 1447.61
    tetrachloroethylene 2391.05
    eugenol 725.07
    triacetin 1119.56
    span 80 878.8
    1,4-butanediol 361.47
    1,1-dichloroethane 3650.69
    2-methyl-1-pentanol 1502.39
    methyl formate 703.09
    2-methyl-1-butanol 1752.42
    n-decane 121.96
    butyronitrile 2557.8
    3,7-dimethyl-1-octanol 757.92
    1-chlorooctane 598.9
    1-chlorotetradecane 183.43
    n-nonane 132.03
    undecane 79.93
    tert-butylcyclohexane 269.3
    cyclooctane 213.53
    cyclopentanol 1733.53
    tetrahydropyran 5000.21
    tert-amyl methyl ether 2106.14
    2,5,8-trioxanonane 1460.65
    1-hexene 2456.45
    2-isopropoxyethanol 1192.08
    2,2,2-trifluoroethanol 237.71
    methyl butyrate 2730.0

    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