2-Nonynoic acid, 2-methylpropyl ester

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  • Identifiers

    CAS number
    84282-44-0

    Molecular formula
    C13H22O2

    SMILES
    CCCCCCC#CC(=O)OCC(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 85.07%
    Violet 56.26%
    Floral 50.87%
    Waxy 44.03%
    Leafy 42.52%
    Oily 38.63%
    Sweet 36.67%
    Fatty 31.83%
    Melon 30.81%
    Fresh 28.04%

     

    Flavor
    Herbal 31.55%
    Bland 26.86%
    Bitter 25.48%
    Mild 21.25%
    Odorless 21.14%
    Parsley 19.53%
    Cedarleaf 19.14%
    Heather 19.12%
    Genet 19.1%
    Carrot 18.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    6.72 (neutral)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    259°C

    Flash point

    • 116.64 ˚C est.

  • Synonyms

    • 84282-44-0
    • 2-Nonynoic acid, 2-methylpropyl ester
    • EINECS 282-688-4
    • DTXSID80868802
    • RefChem:88780
    • DTXCID90816874
    • Isobutyl non-2-ynoate
    • 2-methylpropyl non-2-ynoate
    • TULZIKLJXPEPLR-UHFFFAOYSA-N
    • NS00060987
    • 84282-44-0

  • Applications

    2-Nonynoic acid, 2-methylpropyl ester (CAS 84282-44-0) is primarily used as a specialty chemical intermediate and building block in organic synthesis. It serves as a precursor for alkynyl-containing monomers and functional esters that can be incorporated into polymers and coatings, enabling post-polymerization modification and crosslinking via click-type chemistries. In industrial manufacturing, it is employed as a reactive diluent or crosslinking agent in UV-curable coatings, inks, and adhesive formulations. It also finds use as a starting material for further transformations to functionalized esters in the production of specialty polymers and materials with customizable surface properties. As with many alkyne-containing esters, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17115.99
    methanol 18421.37
    isopropanol 11615.87
    water 0.7
    ethyl acetate 16620.87
    n-propanol 11010.33
    acetone 24361.69
    n-butanol 10185.78
    acetonitrile 14350.28
    DMF 20976.26
    toluene 3450.1
    isobutanol 8217.57
    1,4-dioxane 9454.19
    methyl acetate 10104.81
    THF 14815.22
    2-butanone 14712.35
    n-pentanol 6016.16
    sec-butanol 9198.89
    n-hexane 1456.95
    ethylene glycol 1713.19
    NMP 8909.26
    cyclohexane 1728.11
    DMSO 17142.5
    n-butyl acetate 8455.74
    n-octanol 1827.14
    chloroform 15171.34
    n-propyl acetate 7510.31
    acetic acid 9060.85
    dichloromethane 15965.68
    cyclohexanone 15696.05
    propylene glycol 2738.48
    isopropyl acetate 8834.34
    DMAc 9835.17
    2-ethoxyethanol 6688.47
    isopentanol 8114.19
    n-heptane 389.92
    ethyl formate 7023.58
    1,2-dichloroethane 15404.71
    n-hexanol 5475.86
    2-methoxyethanol 13903.11
    isobutyl acetate 3549.21
    tetrachloromethane 2013.47
    n-pentyl acetate 3850.79
    transcutol 15964.85
    n-heptanol 1767.26
    ethylbenzene 1792.02
    MIBK 6231.82
    2-propoxyethanol 7465.55
    tert-butanol 10605.69
    MTBE 10501.09
    2-butoxyethanol 3273.34
    propionic acid 6594.68
    o-xylene 1682.75
    formic acid 2720.24
    diethyl ether 11947.09
    m-xylene 2177.91
    p-xylene 2130.25
    chlorobenzene 4749.23
    dimethyl carbonate 2675.55
    n-octane 177.52
    formamide 5361.04
    cyclopentanone 14102.47
    2-pentanone 15125.43
    anisole 3648.79
    cyclopentyl methyl ether 8751.29
    gamma-butyrolactone 11701.68
    1-methoxy-2-propanol 10708.85
    pyridine 9445.06
    3-pentanone 7672.36
    furfural 8251.68
    n-dodecane 105.84
    diethylene glycol 4538.64
    diisopropyl ether 3032.2
    tert-amyl alcohol 8665.65
    acetylacetone 12154.37
    n-hexadecane 126.49
    acetophenone 3372.29
    methyl propionate 9115.77
    isopentyl acetate 6738.66
    trichloroethylene 23690.16
    n-nonanol 1457.11
    cyclohexanol 6965.43
    benzyl alcohol 2865.39
    2-ethylhexanol 2624.7
    isooctanol 1430.98
    dipropyl ether 3291.38
    1,2-dichlorobenzene 3911.56
    ethyl lactate 1974.3
    propylene carbonate 6162.41
    n-methylformamide 10722.84
    2-pentanol 7705.58
    n-pentane 1125.01
    1-propoxy-2-propanol 5621.06
    1-methoxy-2-propyl acetate 6060.55
    2-(2-methoxypropoxy) propanol 2306.13
    mesitylene 1215.68
    ε-caprolactone 10391.79
    p-cymene 804.11
    epichlorohydrin 15152.61
    1,1,1-trichloroethane 10870.17
    2-aminoethanol 4433.64
    morpholine-4-carbaldehyde 8374.65
    sulfolane 10473.53
    2,2,4-trimethylpentane 387.45
    2-methyltetrahydrofuran 11842.59
    n-hexyl acetate 5087.93
    isooctane 353.37
    2-(2-butoxyethoxy)ethanol 3926.36
    sec-butyl acetate 4498.17
    tert-butyl acetate 7722.21
    decalin 577.08
    glycerin 2493.55
    diglyme 7784.24
    acrylic acid 4556.64
    isopropyl myristate 1255.45
    n-butyric acid 12652.64
    acetyl acetate 6539.26
    di(2-ethylhexyl) phthalate 940.61
    ethyl propionate 5762.06
    nitromethane 18893.73
    1,2-diethoxyethane 6178.71
    benzonitrile 4675.95
    trioctyl phosphate 764.85
    1-bromopropane 9240.27
    gamma-valerolactone 15141.91
    n-decanol 925.69
    triethyl phosphate 1062.75
    4-methyl-2-pentanol 3144.5
    propionitrile 9245.43
    vinylene carbonate 5344.41
    1,1,2-trichlorotrifluoroethane 8254.31
    DMS 3189.92
    cumene 1005.69
    2-octanol 1423.12
    2-hexanone 7081.66
    octyl acetate 1624.36
    limonene 1543.64
    1,2-dimethoxyethane 10618.24
    ethyl orthosilicate 1125.26
    tributyl phosphate 1115.08
    diacetone alcohol 6934.74
    N,N-dimethylaniline 2057.29
    acrylonitrile 10504.8
    aniline 4068.67
    1,3-propanediol 6703.72
    bromobenzene 5143.67
    dibromomethane 11304.9
    1,1,2,2-tetrachloroethane 17592.48
    2-methyl-cyclohexyl acetate 2283.21
    tetrabutyl urea 1422.93
    diisobutyl methanol 1357.72
    2-phenylethanol 2706.09
    styrene 2518.43
    dioctyl adipate 1637.18
    dimethyl sulfate 3225.91
    ethyl butyrate 4455.98
    methyl lactate 3088.48
    butyl lactate 2697.67
    diethyl carbonate 2242.24
    propanediol butyl ether 3405.89
    triethyl orthoformate 2163.56
    p-tert-butyltoluene 784.09
    methyl 4-tert-butylbenzoate 1988.96
    morpholine 14603.46
    tert-butylamine 6416.38
    n-dodecanol 644.68
    dimethoxymethane 9077.1
    ethylene carbonate 4855.86
    cyrene 1724.69
    2-ethoxyethyl acetate 4747.84
    2-ethylhexyl acetate 4559.62
    1,2,4-trichlorobenzene 4054.43
    4-methylpyridine 10113.51
    dibutyl ether 3071.93
    2,6-dimethyl-4-heptanol 1357.72
    DEF 13201.25
    dimethyl isosorbide 3446.2
    tetrachloroethylene 9877.98
    eugenol 2144.3
    triacetin 2968.65
    span 80 2232.27
    1,4-butanediol 2363.57
    1,1-dichloroethane 14775.86
    2-methyl-1-pentanol 4914.48
    methyl formate 6574.24
    2-methyl-1-butanol 7561.63
    n-decane 214.09
    butyronitrile 11569.81
    3,7-dimethyl-1-octanol 2017.34
    1-chlorooctane 1361.47
    1-chlorotetradecane 374.87
    n-nonane 237.75
    undecane 141.41
    tert-butylcyclohexane 505.79
    cyclooctane 429.37
    cyclopentanol 6295.41
    tetrahydropyran 14423.01
    tert-amyl methyl ether 6360.34
    2,5,8-trioxanonane 4013.5
    1-hexene 5077.44
    2-isopropoxyethanol 4326.91
    2,2,2-trifluoroethanol 2049.46
    methyl butyrate 9098.76

    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