Methyl-undec-9-enoate

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  • Identifiers

    CAS number
    5760-50-9

    Molecular formula
    C12H22O2

    SMILES
    CC=CCCCCCCCC(=O)OC

  • Odor profile

    Fragrance
    Waxy 73.95%
    Fatty 72.48%
    Fruity 70.1%
    Green 67.35%
    Floral 63.48%
    Rose 58.29%
    Oily 48.36%
    Citrus 46.39%
    Melon 45.02%
    Pear 42.95%

     

    Flavor
    Waxy 58.45%
    Fruity 45.59%
    Floral 42.71%
    Oily 34.83%
    Rose 34.24%
    Soapy 32.05%
    Fatty 28.65%
    Fresh 28.57%
    Clean 28.17%
    Sweet 28.16%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.06 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 106.25 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in alcohol

  • Synonyms

    • 9-Undecenoic acid, methyl ester
    • 5760-50-9
    • DTXSID5063998
    • methyl-undec-9-enoate
    • SCHEMBL872716
    • RHRCWCJKYPOGNT-UHFFFAOYSA-N
    • NS00013008
    • NS00082635

  • Applications

    Methyl-undec-9-enoate (CAS 5760-50-9) is the methyl ester of undec-9-enoic acid and is viewed as an organic-synthesis intermediate and a building block for fragrance chemistry and polymer formulations. Typical applications include: as a precursor for fragrance compounds and related esters; as a reactive monomer or co-monomer for specialty polyesters and other polymer resins; as a component in coatings and inks formulations; and as a potential precursor for longer-chain esters used in cosmetic or personal-care ingredients, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2371.81
    methanol 1964.95
    isopropanol 2054.91
    water 0.03
    ethyl acetate 2626.52
    n-propanol 1963.97
    acetone 3342.23
    n-butanol 1713.97
    acetonitrile 1839.0
    DMF 1807.18
    toluene 1106.44
    isobutanol 1342.31
    1,4-dioxane 3321.5
    methyl acetate 1661.71
    THF 4180.39
    2-butanone 2610.37
    n-pentanol 1350.43
    sec-butanol 1974.43
    n-hexane 562.57
    ethylene glycol 112.76
    NMP 1365.6
    cyclohexane 793.95
    DMSO 2950.1
    n-butyl acetate 1677.53
    n-octanol 405.63
    chloroform 3991.23
    n-propyl acetate 1697.35
    acetic acid 1002.95
    dichloromethane 4077.44
    cyclohexanone 3124.29
    propylene glycol 328.45
    isopropyl acetate 1522.42
    DMAc 1293.46
    2-ethoxyethanol 1465.66
    isopentanol 1518.0
    n-heptane 177.08
    ethyl formate 864.73
    1,2-dichloroethane 2889.59
    n-hexanol 1109.24
    2-methoxyethanol 1987.15
    isobutyl acetate 874.2
    tetrachloromethane 629.43
    n-pentyl acetate 879.17
    transcutol 4744.0
    n-heptanol 384.85
    ethylbenzene 541.42
    MIBK 1182.43
    2-propoxyethanol 1468.18
    tert-butanol 2678.29
    MTBE 2999.62
    2-butoxyethanol 745.03
    propionic acid 869.35
    o-xylene 538.86
    formic acid 161.99
    diethyl ether 3822.62
    m-xylene 625.11
    p-xylene 599.6
    chlorobenzene 1120.24
    dimethyl carbonate 296.7
    n-octane 57.06
    formamide 301.39
    cyclopentanone 2613.59
    2-pentanone 2450.99
    anisole 906.6
    cyclopentyl methyl ether 2364.81
    gamma-butyrolactone 2111.23
    1-methoxy-2-propanol 1648.45
    pyridine 2575.91
    3-pentanone 1464.22
    furfural 1441.29
    n-dodecane 33.67
    diethylene glycol 648.37
    diisopropyl ether 773.27
    tert-amyl alcohol 2155.49
    acetylacetone 1680.87
    n-hexadecane 40.67
    acetophenone 749.61
    methyl propionate 1352.36
    isopentyl acetate 1330.73
    trichloroethylene 4123.87
    n-nonanol 350.42
    cyclohexanol 1771.7
    benzyl alcohol 717.3
    2-ethylhexanol 709.54
    isooctanol 354.64
    dipropyl ether 1154.69
    1,2-dichlorobenzene 923.25
    ethyl lactate 387.46
    propylene carbonate 983.65
    n-methylformamide 766.12
    2-pentanol 1443.57
    n-pentane 335.45
    1-propoxy-2-propanol 1204.22
    1-methoxy-2-propyl acetate 1168.29
    2-(2-methoxypropoxy) propanol 717.71
    mesitylene 390.75
    ε-caprolactone 2115.61
    p-cymene 253.98
    epichlorohydrin 3061.12
    1,1,1-trichloroethane 2642.33
    2-aminoethanol 467.47
    morpholine-4-carbaldehyde 1494.84
    sulfolane 2200.52
    2,2,4-trimethylpentane 134.09
    2-methyltetrahydrofuran 4014.31
    n-hexyl acetate 1023.08
    isooctane 105.2
    2-(2-butoxyethoxy)ethanol 1071.34
    sec-butyl acetate 1079.83
    tert-butyl acetate 1501.14
    decalin 239.11
    glycerin 330.74
    diglyme 1952.32
    acrylic acid 501.49
    isopropyl myristate 346.55
    n-butyric acid 1708.68
    acetyl acetate 950.19
    di(2-ethylhexyl) phthalate 275.73
    ethyl propionate 1286.77
    nitromethane 1727.27
    1,2-diethoxyethane 1986.14
    benzonitrile 940.79
    trioctyl phosphate 196.25
    1-bromopropane 2459.63
    gamma-valerolactone 2661.02
    n-decanol 232.35
    triethyl phosphate 332.95
    4-methyl-2-pentanol 641.24
    propionitrile 1538.85
    vinylene carbonate 807.82
    1,1,2-trichlorotrifluoroethane 1509.74
    DMS 622.0
    cumene 310.65
    2-octanol 313.22
    2-hexanone 1679.65
    octyl acetate 417.22
    limonene 476.38
    1,2-dimethoxyethane 2472.18
    ethyl orthosilicate 350.74
    tributyl phosphate 285.06
    diacetone alcohol 1237.21
    N,N-dimethylaniline 544.34
    acrylonitrile 1314.96
    aniline 1087.65
    1,3-propanediol 797.89
    bromobenzene 1292.38
    dibromomethane 3050.39
    1,1,2,2-tetrachloroethane 3531.26
    2-methyl-cyclohexyl acetate 680.38
    tetrabutyl urea 357.58
    diisobutyl methanol 373.76
    2-phenylethanol 627.17
    styrene 779.6
    dioctyl adipate 499.01
    dimethyl sulfate 458.17
    ethyl butyrate 1079.02
    methyl lactate 387.85
    butyl lactate 537.74
    diethyl carbonate 567.65
    propanediol butyl ether 653.68
    triethyl orthoformate 625.85
    p-tert-butyltoluene 245.6
    methyl 4-tert-butylbenzoate 552.03
    morpholine 4627.35
    tert-butylamine 1778.03
    n-dodecanol 169.92
    dimethoxymethane 1453.43
    ethylene carbonate 762.78
    cyrene 543.03
    2-ethoxyethyl acetate 1073.9
    2-ethylhexyl acetate 1010.99
    1,2,4-trichlorobenzene 1018.16
    4-methylpyridine 2293.11
    dibutyl ether 1002.58
    2,6-dimethyl-4-heptanol 373.76
    DEF 1982.91
    dimethyl isosorbide 1102.79
    tetrachloroethylene 2161.14
    eugenol 530.39
    triacetin 793.09
    span 80 680.11
    1,4-butanediol 315.53
    1,1-dichloroethane 3135.18
    2-methyl-1-pentanol 1181.24
    methyl formate 446.37
    2-methyl-1-butanol 1457.83
    n-decane 70.23
    butyronitrile 1865.9
    3,7-dimethyl-1-octanol 459.83
    1-chlorooctane 376.29
    1-chlorotetradecane 113.84
    n-nonane 76.11
    undecane 46.15
    tert-butylcyclohexane 194.57
    cyclooctane 181.8
    cyclopentanol 1430.17
    tetrahydropyran 5121.04
    tert-amyl methyl ether 1781.72
    2,5,8-trioxanonane 1209.11
    1-hexene 1766.55
    2-isopropoxyethanol 1124.23
    2,2,2-trifluoroethanol 191.79
    methyl butyrate 1757.11

    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