Ethyl-2-nonynoate

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  • Identifiers

    CAS number
    10031-92-2

    Molecular formula
    C11H18O2

    SMILES
    CCCCCCC#CC(=O)OCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 83.57%
    Violet 63.91%
    Floral 60.82%
    Waxy 56.17%
    Leafy 46.96%
    Fatty 40.93%
    Melon 39.81%
    Cucumber 39.06%
    Oily 35.89%
    Fresh 31.95%

     

    Flavor
    Fruity 34.11%
    Bland 27.21%
    Bitter 25.9%
    Mild 24.82%
    Odorless 22.68%
    Oily 20.72%
    Parsley 20.34%
    Herbal 19.95%
    Slightly waxy 19.93%
    Pear skin 19.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.62 (neutral)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 121.00 to 122.00 °C. @ 13.00 mm Hg

    Flash point

    • 101.92 ˚C est.

    Solubility expt.

    • Soluble in oils; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Ethyl 2-nonynoate
    • Ethyl non-2-ynoate
    • 10031-92-2
    • Ethyl-2-nonynoate
    • 2-Nonynoic acid, ethyl ester
    • Ethyl nonynoate
    • Ethyl octyne carbonate
    • Ethyl octynecarboxylate
    • FEMA No. 2448
    • 2-Nonynoic Acid Ethyl Ester
    • EINECS 233-098-0
    • Ethyl octinecarbonate
    • NSC 190985
    • AI3-35818
    • 853DED009T
    • NSC-190985
    • ETHYL OCTYNECARBONATE
    • DTXSID5064918
    • BFZNMUGAZYAMTG-UHFFFAOYSA-
    • ETHYL-2-NONYNOATE [FHFI]
    • Nonynoic acid, ethyl ester
    • 2-ethyl octine carbonate
    • UNII-853DED009T
    • MFCD00036553
    • ethyl n-non-2-ynoate
    • 2-Nonynoic acid,ethylester
    • SCHEMBL1101207
    • DTXCID6032518
    • FEMA 2448
    • CHEBI:185864
    • LMFA07010879
    • NSC190985
    • 2- NONYNOIC ACID ETHYL ESTER
    • AKOS015837610
    • CS-0439650
    • N0596
    • NS00021425
    • D91743
    • Q27269581
    • 233-098-0

  • Applications

    Ethyl-2-nonynoate (CAS 10031-92-2) is primarily used as an organic synthesis intermediate to introduce alkyne functionality into molecules and enable subsequent reactions such as CuAAC and other cycloadditions; it serves as a precursor for the synthesis of specialty chemicals in the pharmaceutical and agrochemical sectors; it can be used as a reactive monomer or linking component in polymer, coating, and adhesive formulations; and it acts as a building block in research and development for preparing alkynyl derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15533.48
    methanol 20017.41
    isopropanol 9472.1
    water 0.32
    ethyl acetate 12379.04
    n-propanol 9566.09
    acetone 24768.86
    n-butanol 8174.62
    acetonitrile 13775.19
    DMF 21672.34
    toluene 2845.73
    isobutanol 6094.87
    1,4-dioxane 9272.14
    methyl acetate 8349.5
    THF 13761.39
    2-butanone 12397.56
    n-pentanol 4460.33
    sec-butanol 6524.18
    n-hexane 979.57
    ethylene glycol 1742.67
    NMP 9851.4
    cyclohexane 1478.44
    DMSO 26422.52
    n-butyl acetate 5511.5
    n-octanol 1014.94
    chloroform 12745.67
    n-propyl acetate 5167.17
    acetic acid 9313.0
    dichloromethane 16010.81
    cyclohexanone 15201.93
    propylene glycol 2425.85
    isopropyl acetate 5291.48
    DMAc 7315.91
    2-ethoxyethanol 5124.48
    isopentanol 5164.85
    n-heptane 244.33
    ethyl formate 5363.04
    1,2-dichloroethane 14152.59
    n-hexanol 3577.58
    2-methoxyethanol 12267.46
    isobutyl acetate 2133.85
    tetrachloromethane 1484.25
    n-pentyl acetate 2455.16
    transcutol 13020.05
    n-heptanol 948.62
    ethylbenzene 1109.75
    MIBK 3825.87
    2-propoxyethanol 4852.96
    tert-butanol 7292.93
    MTBE 6083.51
    2-butoxyethanol 1952.97
    propionic acid 6184.37
    o-xylene 1072.91
    formic acid 2552.65
    diethyl ether 10189.24
    m-xylene 1499.47
    p-xylene 1325.26
    chlorobenzene 3910.01
    dimethyl carbonate 2038.59
    n-octane 98.98
    formamide 5674.13
    cyclopentanone 14314.67
    2-pentanone 12180.55
    anisole 2466.13
    cyclopentyl methyl ether 7302.95
    gamma-butyrolactone 12544.04
    1-methoxy-2-propanol 7908.11
    pyridine 9872.93
    3-pentanone 6531.6
    furfural 7336.62
    n-dodecane 66.46
    diethylene glycol 3318.24
    diisopropyl ether 1687.06
    tert-amyl alcohol 5026.47
    acetylacetone 9316.89
    n-hexadecane 81.2
    acetophenone 2227.23
    methyl propionate 7765.57
    isopentyl acetate 3506.72
    trichloroethylene 20125.78
    n-nonanol 812.45
    cyclohexanol 6082.7
    benzyl alcohol 2091.2
    2-ethylhexanol 1483.74
    isooctanol 737.01
    dipropyl ether 2212.16
    1,2-dichlorobenzene 2913.4
    ethyl lactate 1277.2
    propylene carbonate 4878.98
    n-methylformamide 10933.88
    2-pentanol 4876.02
    n-pentane 764.03
    1-propoxy-2-propanol 3348.37
    1-methoxy-2-propyl acetate 3648.0
    2-(2-methoxypropoxy) propanol 1484.87
    mesitylene 821.21
    ε-caprolactone 8153.93
    p-cymene 462.8
    epichlorohydrin 12885.89
    1,1,1-trichloroethane 8113.45
    2-aminoethanol 4095.99
    morpholine-4-carbaldehyde 7278.55
    sulfolane 12865.76
    2,2,4-trimethylpentane 196.12
    2-methyltetrahydrofuran 10517.35
    n-hexyl acetate 3106.84
    isooctane 184.38
    2-(2-butoxyethoxy)ethanol 2703.57
    sec-butyl acetate 2555.55
    tert-butyl acetate 4634.14
    decalin 363.71
    glycerin 2414.38
    diglyme 5287.77
    acrylic acid 4475.42
    isopropyl myristate 808.01
    n-butyric acid 9718.64
    acetyl acetate 4340.4
    di(2-ethylhexyl) phthalate 626.59
    ethyl propionate 3831.97
    nitromethane 19615.31
    1,2-diethoxyethane 4408.08
    benzonitrile 3212.97
    trioctyl phosphate 510.67
    1-bromopropane 7909.45
    gamma-valerolactone 13013.22
    n-decanol 544.07
    triethyl phosphate 673.04
    4-methyl-2-pentanol 1630.17
    propionitrile 7458.08
    vinylene carbonate 4128.01
    1,1,2-trichlorotrifluoroethane 7531.2
    DMS 2272.56
    cumene 584.89
    2-octanol 756.68
    2-hexanone 5185.9
    octyl acetate 1079.33
    limonene 922.27
    1,2-dimethoxyethane 8246.13
    ethyl orthosilicate 680.69
    tributyl phosphate 782.18
    diacetone alcohol 4522.11
    N,N-dimethylaniline 1288.78
    acrylonitrile 9039.39
    aniline 3707.26
    1,3-propanediol 5942.68
    bromobenzene 4338.51
    dibromomethane 10993.42
    1,1,2,2-tetrachloroethane 14227.02
    2-methyl-cyclohexyl acetate 1320.94
    tetrabutyl urea 1035.33
    diisobutyl methanol 723.09
    2-phenylethanol 1691.16
    styrene 1830.77
    dioctyl adipate 1171.45
    dimethyl sulfate 3153.63
    ethyl butyrate 2590.65
    methyl lactate 2300.25
    butyl lactate 1723.98
    diethyl carbonate 1335.28
    propanediol butyl ether 2290.32
    triethyl orthoformate 1297.09
    p-tert-butyltoluene 448.93
    methyl 4-tert-butylbenzoate 1201.25
    morpholine 14607.22
    tert-butylamine 4222.62
    n-dodecanol 391.7
    dimethoxymethane 8130.56
    ethylene carbonate 3726.14
    cyrene 1289.21
    2-ethoxyethyl acetate 3290.75
    2-ethylhexyl acetate 2429.69
    1,2,4-trichlorobenzene 3154.08
    4-methylpyridine 8993.34
    dibutyl ether 2038.63
    2,6-dimethyl-4-heptanol 723.09
    DEF 10543.4
    dimethyl isosorbide 2516.0
    tetrachloroethylene 8225.12
    eugenol 1368.63
    triacetin 2164.48
    span 80 1576.44
    1,4-butanediol 1861.01
    1,1-dichloroethane 11887.39
    2-methyl-1-pentanol 2997.81
    methyl formate 5923.58
    2-methyl-1-butanol 4875.73
    n-decane 126.08
    butyronitrile 8800.33
    3,7-dimethyl-1-octanol 1026.31
    1-chlorooctane 776.3
    1-chlorotetradecane 245.39
    n-nonane 138.36
    undecane 87.9
    tert-butylcyclohexane 306.33
    cyclooctane 296.79
    cyclopentanol 5938.07
    tetrahydropyran 14189.12
    tert-amyl methyl ether 3472.26
    2,5,8-trioxanonane 2785.47
    1-hexene 3775.45
    2-isopropoxyethanol 2771.2
    2,2,2-trifluoroethanol 1706.14
    methyl butyrate 5991.7

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
Esters of 2-Nonynoic acid (except Methyl octine carbonate) should not be used as a fragrance ingredient.
For Methyl octine carbonate (CAS Number 111-80-8), please refer to the IFRA Restricted Standard Methyl octine carbonate.