Methyl (E)-non-6-enoate

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  • Identifiers

    CAS number
    40709-04-4

    Molecular formula
    C10H18O2

    SMILES
    CC/C=C/CCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Green 88.64%
    Fruity 85.58%
    Waxy 69.46%
    Fatty 66.82%
    Pear 62.47%
    Melon 61.98%
    Tropical 56.76%
    Apple 46.04%
    Vegetable 46.02%
    Fresh 45.38%

     

    Flavor
    Fruity 51.2%
    Waxy 47.65%
    Green 36.24%
    Floral 35.08%
    Pear 32.01%
    Tropical 31.5%
    Oily 29.92%
    Fresh 29.73%
    Melon 27.23%
    Apple 25.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.24 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    210°C

    Flash point

    • 85.89 ˚C est.

  • Synonyms

    • Methyl (E)-non-6-enoate
    • 40709-04-4
    • formyl 6E-nonenoate
    • W65X3524YG
    • methyl (e)-6-nonenoate
    • EINECS 255-049-2
    • 6-Nonenoic acid, methyl ester, (E)-
    • UNII-W65X3524YG
    • AI3-34820
    • WE(1:0/9:1(6E))
    • 6-Nonenoic acid, methyl ester
    • METHYL (6E)-NON-6-ENOATE
    • Methyl 6E-nonenoate
    • Methyl(E)-non-6-enoate
    • Methyl (6E)-6-nonenoate #
    • SCHEMBL7192944
    • SCHEMBL16289307
    • DTXSID60193689
    • CHEBI:180240
    • LMFA07010525
    • NS00030835
    • 40709-04-4

  • Applications

    Methyl (E)-non-6-enoate, CAS 40709-04-4, is a long-chain unsaturated methyl ester that serves primarily as an organic synthesis intermediate. In practice it functions as a building block for fragrance and flavor precursor molecules; as a monomer or co-monomer in specialty polymers and polyester resins used in coatings and plastics; as a potential crosslinking or reactive component in coatings and inks; as a processing aid or solvent in industrial formulations; and as a starting material for the development of agrochemical or pharmaceutical intermediates, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2841.09
    methanol 2759.31
    isopropanol 2304.18
    water 0.16
    ethyl acetate 1892.11
    n-propanol 2097.29
    acetone 2858.11
    n-butanol 1715.31
    acetonitrile 2039.29
    DMF 2037.41
    toluene 855.0
    isobutanol 1411.38
    1,4-dioxane 2852.78
    methyl acetate 1427.86
    THF 2987.71
    2-butanone 1972.82
    n-pentanol 1342.48
    sec-butanol 1869.06
    n-hexane 418.66
    ethylene glycol 214.26
    NMP 1343.3
    cyclohexane 518.99
    DMSO 2773.65
    n-butyl acetate 1285.43
    n-octanol 445.77
    chloroform 3638.15
    n-propyl acetate 1187.02
    acetic acid 1488.24
    dichloromethane 3460.7
    cyclohexanone 2304.5
    propylene glycol 461.69
    isopropyl acetate 1052.15
    DMAc 1205.97
    2-ethoxyethanol 1408.08
    isopentanol 1425.89
    n-heptane 140.58
    ethyl formate 823.38
    1,2-dichloroethane 2141.86
    n-hexanol 1115.57
    2-methoxyethanol 1940.34
    isobutyl acetate 644.21
    tetrachloromethane 563.29
    n-pentyl acetate 663.31
    transcutol 3888.15
    n-heptanol 393.11
    ethylbenzene 445.04
    MIBK 827.35
    2-propoxyethanol 1383.68
    tert-butanol 2762.53
    MTBE 2173.54
    2-butoxyethanol 673.86
    propionic acid 1077.88
    o-xylene 441.4
    formic acid 276.72
    diethyl ether 2557.91
    m-xylene 499.32
    p-xylene 508.63
    chlorobenzene 956.4
    dimethyl carbonate 266.9
    n-octane 54.8
    formamide 428.0
    cyclopentanone 2067.11
    2-pentanone 1655.61
    anisole 774.58
    cyclopentyl methyl ether 1579.11
    gamma-butyrolactone 1887.49
    1-methoxy-2-propanol 1506.38
    pyridine 2166.5
    3-pentanone 1021.9
    furfural 1346.98
    n-dodecane 39.2
    diethylene glycol 759.31
    diisopropyl ether 514.92
    tert-amyl alcohol 2041.52
    acetylacetone 1242.66
    n-hexadecane 46.07
    acetophenone 648.87
    methyl propionate 1015.49
    isopentyl acetate 996.24
    trichloroethylene 3301.23
    n-nonanol 367.78
    cyclohexanol 1539.02
    benzyl alcohol 683.34
    2-ethylhexanol 632.83
    isooctanol 333.26
    dipropyl ether 806.93
    1,2-dichlorobenzene 755.78
    ethyl lactate 349.2
    propylene carbonate 912.0
    n-methylformamide 914.37
    2-pentanol 1305.69
    n-pentane 287.13
    1-propoxy-2-propanol 1055.37
    1-methoxy-2-propyl acetate 850.12
    2-(2-methoxypropoxy) propanol 675.46
    mesitylene 318.95
    ε-caprolactone 1643.9
    p-cymene 217.98
    epichlorohydrin 2373.04
    1,1,1-trichloroethane 2109.53
    2-aminoethanol 669.92
    morpholine-4-carbaldehyde 1408.22
    sulfolane 1948.79
    2,2,4-trimethylpentane 115.7
    2-methyltetrahydrofuran 2825.32
    n-hexyl acetate 867.77
    isooctane 92.28
    2-(2-butoxyethoxy)ethanol 998.27
    sec-butyl acetate 722.41
    tert-butyl acetate 1018.28
    decalin 180.93
    glycerin 462.03
    diglyme 1650.66
    acrylic acid 718.6
    isopropyl myristate 296.29
    n-butyric acid 1727.31
    acetyl acetate 769.87
    di(2-ethylhexyl) phthalate 260.99
    ethyl propionate 884.28
    nitromethane 1891.62
    1,2-diethoxyethane 1421.44
    benzonitrile 920.0
    trioctyl phosphate 189.23
    1-bromopropane 1813.43
    gamma-valerolactone 2037.14
    n-decanol 255.28
    triethyl phosphate 271.99
    4-methyl-2-pentanol 571.59
    propionitrile 1511.2
    vinylene carbonate 800.48
    1,1,2-trichlorotrifluoroethane 1412.44
    DMS 533.07
    cumene 266.02
    2-octanol 316.15
    2-hexanone 1217.4
    octyl acetate 375.33
    limonene 376.51
    1,2-dimethoxyethane 2063.31
    ethyl orthosilicate 282.51
    tributyl phosphate 263.67
    diacetone alcohol 958.21
    N,N-dimethylaniline 481.26
    acrylonitrile 1487.57
    aniline 960.19
    1,3-propanediol 963.45
    bromobenzene 1062.09
    dibromomethane 2524.91
    1,1,2,2-tetrachloroethane 2832.56
    2-methyl-cyclohexyl acetate 527.51
    tetrabutyl urea 327.77
    diisobutyl methanol 325.15
    2-phenylethanol 581.49
    styrene 630.85
    dioctyl adipate 433.26
    dimethyl sulfate 419.41
    ethyl butyrate 780.36
    methyl lactate 392.74
    butyl lactate 472.34
    diethyl carbonate 449.49
    propanediol butyl ether 692.2
    triethyl orthoformate 456.3
    p-tert-butyltoluene 210.98
    methyl 4-tert-butylbenzoate 496.51
    morpholine 3602.85
    tert-butylamine 1782.81
    n-dodecanol 186.86
    dimethoxymethane 1172.06
    ethylene carbonate 684.65
    cyrene 517.65
    2-ethoxyethyl acetate 841.79
    2-ethylhexyl acetate 742.26
    1,2,4-trichlorobenzene 840.99
    4-methylpyridine 1931.77
    dibutyl ether 739.12
    2,6-dimethyl-4-heptanol 325.15
    DEF 1461.56
    dimethyl isosorbide 922.12
    tetrachloroethylene 1742.91
    eugenol 511.44
    triacetin 693.39
    span 80 638.56
    1,4-butanediol 420.53
    1,1-dichloroethane 2548.39
    2-methyl-1-pentanol 1090.46
    methyl formate 551.1
    2-methyl-1-butanol 1352.54
    n-decane 72.72
    butyronitrile 1688.53
    3,7-dimethyl-1-octanol 446.0
    1-chlorooctane 339.04
    1-chlorotetradecane 114.68
    n-nonane 77.36
    undecane 50.7
    tert-butylcyclohexane 163.02
    cyclooctane 126.56
    cyclopentanol 1353.21
    tetrahydropyran 3654.03
    tert-amyl methyl ether 1240.83
    2,5,8-trioxanonane 1087.15
    1-hexene 1343.19
    2-isopropoxyethanol 983.11
    2,2,2-trifluoroethanol 273.0
    methyl butyrate 1264.39

    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