Methyl 3-nonenoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    13481-87-3

    Molecular formula
    C10H18O2

    SMILES
    CCCCCC=CCC(=O)OC

  • Odor profile

    Fruity 90.27%
    Green 87.36%
    Waxy 69.42%
    Fatty 69.2%
    Pear 67.28%
    Melon 62.61%
    Tropical 56.73%
    Apple 47.02%
    Pineapple 46.77%
    Fresh 42.63%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Flash point est.
    84.27 ˚C

    Solubility expt.

    • insoluble in water

  • Synonyms

    • Methyl 3-nonenoate
    • Methyl non-3-enoate
    • 13481-87-3
    • 3-Nonenoic acid, methyl ester
    • DTXSID1047659
    • 2M3M6634B7
    • methyl (E)-3-nonenoate
    • DTXCID9027659
    • METHYL 3-NONENOATE [FHFI]
    • EINECS 236-786-9
    • CHEMBL3183304
    • UNII-2M3M6634B7
    • DB-042253
    • NS00086376

  • Applications

    Methyl 3-nonenoate (CAS 13481-87-3) is the methyl ester of 3-nonenoic acid with a characteristic fatty-fruity odor; it is employed as a flavour and fragrance ingredient to impart green, apricot and cucumber nuances to foods, beverages and personal-care products, and it serves as a versatile intermediate in the synthesis of several insect pheromones (e.g. drosophila and beetle pheromones) used in environmentally friendly monitoring and trapping systems; in organic chemistry the straight-chain alkene is valued as a handle for ring-closing metathesis, epoxidation or hydroxylation routes leading to bioactive unsaturated derivatives, while its C9 methyl ester backbone is also being investigated as a cetane-boosting additive and cold-flow improver in biodiesel formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4275.81
    methanol 4388.09
    isopropanol 3118.54
    water 0.13
    ethyl acetate 3052.2
    n-propanol 2915.22
    acetone 4934.33
    n-butanol 2311.67
    acetonitrile 2697.63
    DMF 3333.77
    toluene 995.67
    isobutanol 1843.38
    1,4-dioxane 3548.41
    methyl acetate 2079.63
    THF 4224.59
    2-butanone 3021.75
    n-pentanol 1630.86
    sec-butanol 2343.29
    n-hexane 324.24
    ethylene glycol 380.47
    NMP 1913.87
    cyclohexane 384.27
    DMSO 4924.39
    n-butyl acetate 1587.79
    n-octanol 360.83
    chloroform 3943.43
    n-propyl acetate 1471.66
    acetic acid 2130.77
    dichloromethane 3836.51
    cyclohexanone 3107.51
    propylene glycol 827.34
    isopropyl acetate 1516.81
    DMAc 1776.6
    2-ethoxyethanol 1889.62
    isopentanol 1788.13
    n-heptane 86.66
    ethyl formate 1095.05
    1,2-dichloroethane 2960.51
    n-hexanol 1255.07
    2-methoxyethanol 3197.77
    isobutyl acetate 744.98
    tetrachloromethane 531.4
    n-pentyl acetate 667.8
    transcutol 5567.61
    n-heptanol 355.83
    ethylbenzene 429.7
    MIBK 1090.55
    2-propoxyethanol 1758.06
    tert-butanol 3452.15
    MTBE 2953.8
    2-butoxyethanol 749.78
    propionic acid 1446.47
    o-xylene 461.26
    formic acid 451.5
    diethyl ether 3379.8
    m-xylene 578.18
    p-xylene 483.39
    chlorobenzene 1025.16
    dimethyl carbonate 406.92
    n-octane 29.74
    formamide 785.87
    cyclopentanone 2943.6
    2-pentanone 2556.68
    anisole 912.25
    cyclopentyl methyl ether 2218.65
    gamma-butyrolactone 2622.21
    1-methoxy-2-propanol 2351.16
    pyridine 2790.8
    3-pentanone 1459.97
    furfural 1758.06
    n-dodecane 20.93
    diethylene glycol 1093.26
    diisopropyl ether 596.8
    tert-amyl alcohol 2492.65
    acetylacetone 1994.52
    n-hexadecane 25.28
    acetophenone 718.9
    methyl propionate 1680.81
    isopentyl acetate 1242.58
    trichloroethylene 4521.06
    n-nonanol 307.53
    cyclohexanol 1894.25
    benzyl alcohol 806.97
    2-ethylhexanol 649.94
    isooctanol 298.63
    dipropyl ether 837.55
    1,2-dichlorobenzene 807.35
    ethyl lactate 426.72
    propylene carbonate 1126.04
    n-methylformamide 1575.98
    2-pentanol 1567.7
    n-pentane 207.69
    1-propoxy-2-propanol 1303.39
    1-methoxy-2-propyl acetate 1233.48
    2-(2-methoxypropoxy) propanol 761.68
    mesitylene 324.34
    ε-caprolactone 2068.54
    p-cymene 193.1
    epichlorohydrin 3427.59
    1,1,1-trichloroethane 2372.42
    2-aminoethanol 1120.14
    morpholine-4-carbaldehyde 1898.48
    sulfolane 2812.73
    2,2,4-trimethylpentane 95.4
    2-methyltetrahydrofuran 3818.85
    n-hexyl acetate 875.38
    isooctane 74.67
    2-(2-butoxyethoxy)ethanol 1165.43
    sec-butyl acetate 912.53
    tert-butyl acetate 1408.96
    decalin 150.56
    glycerin 783.29
    diglyme 2043.65
    acrylic acid 952.37
    isopropyl myristate 283.49
    n-butyric acid 2251.86
    acetyl acetate 1053.63
    di(2-ethylhexyl) phthalate 257.21
    ethyl propionate 1123.57
    nitromethane 2988.82
    1,2-diethoxyethane 1839.44
    benzonitrile 976.94
    trioctyl phosphate 178.7
    1-bromopropane 2095.97
    gamma-valerolactone 2965.91
    n-decanol 211.72
    triethyl phosphate 283.33
    4-methyl-2-pentanol 648.38
    propionitrile 1778.32
    vinylene carbonate 952.98
    1,1,2-trichlorotrifluoroethane 2132.85
    DMS 645.14
    cumene 248.21
    2-octanol 264.46
    2-hexanone 1508.34
    octyl acetate 355.2
    limonene 369.68
    1,2-dimethoxyethane 2659.24
    ethyl orthosilicate 300.7
    tributyl phosphate 266.34
    diacetone alcohol 1417.4
    N,N-dimethylaniline 499.48
    acrylonitrile 1844.54
    aniline 1323.94
    1,3-propanediol 1533.88
    bromobenzene 1130.03
    dibromomethane 2836.05
    1,1,2,2-tetrachloroethane 3684.79
    2-methyl-cyclohexyl acetate 557.89
    tetrabutyl urea 329.66
    diisobutyl methanol 321.9
    2-phenylethanol 706.39
    styrene 647.22
    dioctyl adipate 436.64
    dimethyl sulfate 641.79
    ethyl butyrate 894.03
    methyl lactate 601.89
    butyl lactate 514.75
    diethyl carbonate 494.29
    propanediol butyl ether 798.67
    triethyl orthoformate 500.8
    p-tert-butyltoluene 195.32
    methyl 4-tert-butylbenzoate 487.47
    morpholine 5181.37
    tert-butylamine 2114.85
    n-dodecanol 150.72
    dimethoxymethane 1968.1
    ethylene carbonate 837.78
    cyrene 583.62
    2-ethoxyethyl acetate 1008.48
    2-ethylhexyl acetate 886.06
    1,2,4-trichlorobenzene 938.63
    4-methylpyridine 2551.27
    dibutyl ether 700.81
    2,6-dimethyl-4-heptanol 321.9
    DEF 2247.84
    dimethyl isosorbide 1091.44
    tetrachloroethylene 2155.66
    eugenol 530.22
    triacetin 751.48
    span 80 683.54
    1,4-butanediol 572.67
    1,1-dichloroethane 3059.29
    2-methyl-1-pentanol 1298.77
    methyl formate 889.89
    2-methyl-1-butanol 1700.51
    n-decane 40.22
    butyronitrile 1974.62
    3,7-dimethyl-1-octanol 416.45
    1-chlorooctane 259.71
    1-chlorotetradecane 84.06
    n-nonane 42.4
    undecane 27.63
    tert-butylcyclohexane 138.93
    cyclooctane 85.86
    cyclopentanol 1727.16
    tetrahydropyran 4584.91
    tert-amyl methyl ether 1623.18
    2,5,8-trioxanonane 1262.9
    1-hexene 1333.92
    2-isopropoxyethanol 1260.45
    2,2,2-trifluoroethanol 357.82
    methyl butyrate 1577.53

    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

Botanical

Name CAS Botanical Proportion
Hop (China) 8007-04-3 Humulus lupulus L., fam. Cannabaceae 0.14%