2-Nonenoic acid, methyl ester

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  • Identifiers

    CAS number
    68872-72-0

    Molecular formula
    C10H18O2

    SMILES
    CCCCCC/C=C\C(=O)OC

  • Odor profile

    Fragrance
    Fruity 90.81%
    Green 89.8%
    Fatty 81.94%
    Waxy 77.43%
    Pear 65.01%
    Melon 61.94%
    Sweet 53.97%
    Fresh 51.4%
    Tropical 49.31%
    Vegetable 47.07%

     

    Flavor
    Fruity 76.4%
    Waxy 59.0%
    Green 54.87%
    Pear 41.33%
    Sweet 38.78%
    Fatty 37.09%
    Tropical 36.61%
    Apple 36.25%
    Oily 35.25%
    Floral 32.12%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.06 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 115.00 °C. @ 21.00 mm Hg

    Flash point

    • 84.48 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • Methyl (Z)-2-nonenoate
    • Neofolione
    • Methyl 2-nonenoate, (2Z)-
    • 57Q0AER45Q
    • Methyl nonylenate
    • 2-Nonenoic acid, methyl ester, cis-
    • 2-Nonenoic acid, methyl ester, (Z)-
    • methyl (2Z)-non-2-enoate
    • UNII-57Q0AER45Q
    • 2-Nonenoic acid, methyl ester, (2Z)-
    • 68872-72-0
    • 2-NONENOIC ACID, METHYL ESTER
    • METHYL-2-NONENOATE
    • 111-79-5
    • NSC-76416
    • (2Z)-methyl 2-nonenoate
    • WLN: 7U1VO1
    • non-2-enoic acid methyl ester
    • SCHEMBL3508416
    • FEMA 2725
    • DTXSID40110076
    • NSC76416
    • LMFA07010943
    • NS00012940
    • Q27261512

  • Applications

    2-Nonenoic acid, methyl ester (CAS 68872-72-0) is used as a fragrance ingredient in perfumes and cosmetics, and may be considered for flavor/aroma applications in foods within appropriate regulatory limits; it is commonly evaluated as an intermediate in the synthesis of fragrance compounds and other organic building blocks, and can serve as a solvent or processing aid in industrial manufacturing, including coatings/inks and the polymers and plastics sector.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5943.93
    methanol 6434.61
    isopropanol 4609.18
    water 0.06
    ethyl acetate 5177.98
    n-propanol 4425.28
    acetone 9132.33
    n-butanol 3399.68
    acetonitrile 4458.22
    DMF 6513.76
    toluene 1525.37
    isobutanol 2953.21
    1,4-dioxane 4563.44
    methyl acetate 3438.39
    THF 6721.01
    2-butanone 5790.03
    n-pentanol 2364.2
    sec-butanol 3677.51
    n-hexane 527.07
    ethylene glycol 416.95
    NMP 3494.19
    cyclohexane 577.88
    DMSO 8134.89
    n-butyl acetate 2746.25
    n-octanol 524.99
    chloroform 5409.37
    n-propyl acetate 2602.34
    acetic acid 2827.62
    dichloromethane 6032.29
    cyclohexanone 5675.67
    propylene glycol 934.28
    isopropyl acetate 2616.57
    DMAc 2706.17
    2-ethoxyethanol 2508.04
    isopentanol 2728.22
    n-heptane 125.04
    ethyl formate 1887.63
    1,2-dichloroethane 5301.22
    n-hexanol 1935.37
    2-methoxyethanol 4847.17
    isobutyl acetate 1212.74
    tetrachloromethane 751.69
    n-pentyl acetate 1135.34
    transcutol 7321.29
    n-heptanol 552.25
    ethylbenzene 639.52
    MIBK 1930.4
    2-propoxyethanol 2562.36
    tert-butanol 4968.96
    MTBE 5040.25
    2-butoxyethanol 1109.9
    propionic acid 2293.19
    o-xylene 666.61
    formic acid 545.0
    diethyl ether 5530.99
    m-xylene 892.58
    p-xylene 722.19
    chlorobenzene 1648.98
    dimethyl carbonate 691.86
    n-octane 46.06
    formamide 1145.89
    cyclopentanone 5594.52
    2-pentanone 4851.77
    anisole 1308.15
    cyclopentyl methyl ether 3895.55
    gamma-butyrolactone 4866.43
    1-methoxy-2-propanol 3590.13
    pyridine 4232.22
    3-pentanone 2729.47
    furfural 2790.46
    n-dodecane 30.82
    diethylene glycol 1417.09
    diisopropyl ether 1018.71
    tert-amyl alcohol 3847.7
    acetylacetone 3286.14
    n-hexadecane 37.44
    acetophenone 1043.78
    methyl propionate 3091.56
    isopentyl acetate 2082.78
    trichloroethylene 7465.53
    n-nonanol 437.85
    cyclohexanol 2841.82
    benzyl alcohol 1083.04
    2-ethylhexanol 979.07
    isooctanol 467.33
    dipropyl ether 1328.44
    1,2-dichlorobenzene 1292.27
    ethyl lactate 605.44
    propylene carbonate 1917.04
    n-methylformamide 3016.87
    2-pentanol 2469.19
    n-pentane 337.36
    1-propoxy-2-propanol 1972.65
    1-methoxy-2-propyl acetate 1971.47
    2-(2-methoxypropoxy) propanol 979.16
    mesitylene 497.53
    ε-caprolactone 3549.84
    p-cymene 288.28
    epichlorohydrin 5827.81
    1,1,1-trichloroethane 3786.2
    2-aminoethanol 1426.69
    morpholine-4-carbaldehyde 2835.66
    sulfolane 5023.87
    2,2,4-trimethylpentane 138.67
    2-methyltetrahydrofuran 6594.63
    n-hexyl acetate 1375.2
    isooctane 117.69
    2-(2-butoxyethoxy)ethanol 1548.87
    sec-butyl acetate 1563.27
    tert-butyl acetate 2341.85
    decalin 210.3
    glycerin 884.18
    diglyme 2744.68
    acrylic acid 1447.88
    isopropyl myristate 423.48
    n-butyric acid 3706.08
    acetyl acetate 1593.24
    di(2-ethylhexyl) phthalate 352.82
    ethyl propionate 2000.28
    nitromethane 4803.12
    1,2-diethoxyethane 2718.79
    benzonitrile 1475.52
    trioctyl phosphate 260.91
    1-bromopropane 3678.74
    gamma-valerolactone 5037.46
    n-decanol 301.87
    triethyl phosphate 385.3
    4-methyl-2-pentanol 986.51
    propionitrile 3164.13
    vinylene carbonate 1563.0
    1,1,2-trichlorotrifluoroethane 3139.11
    DMS 932.68
    cumene 362.08
    2-octanol 416.9
    2-hexanone 2676.92
    octyl acetate 535.48
    limonene 552.53
    1,2-dimethoxyethane 3964.69
    ethyl orthosilicate 407.42
    tributyl phosphate 380.44
    diacetone alcohol 2244.27
    N,N-dimethylaniline 690.23
    acrylonitrile 3337.91
    aniline 1943.46
    1,3-propanediol 2086.34
    bromobenzene 1882.14
    dibromomethane 4513.85
    1,1,2,2-tetrachloroethane 5771.94
    2-methyl-cyclohexyl acetate 814.19
    tetrabutyl urea 480.43
    diisobutyl methanol 482.32
    2-phenylethanol 967.58
    styrene 971.5
    dioctyl adipate 614.84
    dimethyl sulfate 1062.49
    ethyl butyrate 1409.23
    methyl lactate 917.78
    butyl lactate 790.82
    diethyl carbonate 731.22
    propanediol butyl ether 1101.17
    triethyl orthoformate 725.24
    p-tert-butyltoluene 290.72
    methyl 4-tert-butylbenzoate 668.06
    morpholine 7540.55
    tert-butylamine 3113.06
    n-dodecanol 216.34
    dimethoxymethane 3280.94
    ethylene carbonate 1327.55
    cyrene 765.0
    2-ethoxyethyl acetate 1590.2
    2-ethylhexyl acetate 1480.59
    1,2,4-trichlorobenzene 1475.57
    4-methylpyridine 4084.01
    dibutyl ether 1081.68
    2,6-dimethyl-4-heptanol 482.32
    DEF 4411.78
    dimethyl isosorbide 1526.72
    tetrachloroethylene 3345.66
    eugenol 736.38
    triacetin 1003.3
    span 80 916.76
    1,4-butanediol 728.1
    1,1-dichloroethane 5297.53
    2-methyl-1-pentanol 1906.15
    methyl formate 1606.64
    2-methyl-1-butanol 2602.93
    n-decane 58.98
    butyronitrile 3573.56
    3,7-dimethyl-1-octanol 607.96
    1-chlorooctane 396.32
    1-chlorotetradecane 125.82
    n-nonane 63.09
    undecane 41.01
    tert-butylcyclohexane 201.63
    cyclooctane 127.27
    cyclopentanol 2813.32
    tetrahydropyran 7321.51
    tert-amyl methyl ether 2714.6
    2,5,8-trioxanonane 1589.4
    1-hexene 2165.39
    2-isopropoxyethanol 1748.98
    2,2,2-trifluoroethanol 480.59
    methyl butyrate 2811.4

    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