Methyl 8-methylnonanoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    5129-54-4

    Molecular formula
    C11H22O2

    SMILES
    CC(C)CCCCCCC(=O)OC

  • Odor profile

    Fruity 77.07%
    Oily 60.26%
    Sweet 58.38%
    Waxy 56.4%
    Fatty 55.75%
    Floral 54.52%
    Winey 50.53%
    Herbal 49.05%
    Rose 44.62%
    Green 43.83%

    Scent© AI

  • Properties

    XLogP3-AA
    4.4

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    221°C

    Flash point est.
    86.37 ˚C

  • Synonyms

    • METHYL 8-METHYLNONANOATE
    • 5129-54-4
    • Isocapric Acid Methyl Ester
    • Nonanoic acid, 8-methyl-, methyl ester
    • Methyl 8-methyl-nonanoate
    • 8-methylnonanoic acid methyl ester
    • SCHEMBL2260424
    • DTXSID60609119
    • CX457H832J
    • AKOS006274154
    • HY-W554410
    • DB-051936
    • A10623

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6319.71
    methanol 5711.82
    isopropanol 6104.09
    water 0.11
    ethyl acetate 4961.67
    n-propanol 4881.55
    acetone 7074.15
    n-butanol 4172.53
    acetonitrile 3765.47
    DMF 3322.96
    toluene 1189.45
    isobutanol 3493.98
    1,4-dioxane 5223.0
    methyl acetate 3043.76
    THF 6652.34
    2-butanone 4762.68
    n-pentanol 2810.94
    sec-butanol 4308.27
    n-hexane 787.17
    ethylene glycol 297.29
    NMP 1904.79
    cyclohexane 855.72
    DMSO 3741.98
    n-butyl acetate 3130.36
    n-octanol 748.57
    chloroform 5942.5
    n-propyl acetate 2873.91
    acetic acid 2360.91
    dichloromethane 5003.53
    cyclohexanone 5375.8
    propylene glycol 852.44
    isopropyl acetate 2996.52
    DMAc 1907.17
    2-ethoxyethanol 2893.57
    isopentanol 3601.71
    n-heptane 212.09
    ethyl formate 2005.91
    1,2-dichloroethane 3653.68
    n-hexanol 2392.82
    2-methoxyethanol 4423.57
    isobutyl acetate 1552.69
    tetrachloromethane 946.42
    n-pentyl acetate 1488.75
    transcutol 7063.83
    n-heptanol 774.23
    ethylbenzene 655.85
    MIBK 2117.43
    2-propoxyethanol 3018.16
    tert-butanol 6711.33
    MTBE 5553.88
    2-butoxyethanol 1477.0
    propionic acid 2039.94
    o-xylene 682.68
    formic acid 409.44
    diethyl ether 5696.67
    m-xylene 811.1
    p-xylene 839.75
    chlorobenzene 1540.4
    dimethyl carbonate 391.59
    n-octane 78.01
    formamide 712.33
    cyclopentanone 4141.81
    2-pentanone 4327.9
    anisole 1267.03
    cyclopentyl methyl ether 3543.49
    gamma-butyrolactone 3546.11
    1-methoxy-2-propanol 3514.33
    pyridine 3315.06
    3-pentanone 2191.02
    furfural 2425.68
    n-dodecane 43.83
    diethylene glycol 1350.08
    diisopropyl ether 1229.0
    tert-amyl alcohol 4412.68
    acetylacetone 2831.29
    n-hexadecane 53.07
    acetophenone 1019.62
    methyl propionate 2272.59
    isopentyl acetate 2526.87
    trichloroethylene 5490.99
    n-nonanol 612.46
    cyclohexanol 3344.35
    benzyl alcohol 1079.8
    2-ethylhexanol 1290.11
    isooctanol 676.56
    dipropyl ether 1909.29
    1,2-dichlorobenzene 1254.65
    ethyl lactate 697.75
    propylene carbonate 1837.91
    n-methylformamide 1757.48
    2-pentanol 3014.74
    n-pentane 449.85
    1-propoxy-2-propanol 2544.35
    1-methoxy-2-propyl acetate 2125.65
    2-(2-methoxypropoxy) propanol 1081.51
    mesitylene 499.57
    ε-caprolactone 3821.72
    p-cymene 360.96
    epichlorohydrin 4711.31
    1,1,1-trichloroethane 3880.31
    2-aminoethanol 1224.09
    morpholine-4-carbaldehyde 2627.21
    sulfolane 3147.82
    2,2,4-trimethylpentane 183.3
    2-methyltetrahydrofuran 6075.29
    n-hexyl acetate 1767.2
    isooctane 154.53
    2-(2-butoxyethoxy)ethanol 1707.57
    sec-butyl acetate 1886.4
    tert-butyl acetate 2724.31
    decalin 279.99
    glycerin 740.14
    diglyme 3139.39
    acrylic acid 1111.03
    isopropyl myristate 512.23
    n-butyric acid 4148.49
    acetyl acetate 1664.44
    di(2-ethylhexyl) phthalate 411.5
    ethyl propionate 2077.24
    nitromethane 3313.89
    1,2-diethoxyethane 2950.02
    benzonitrile 1504.91
    trioctyl phosphate 311.18
    1-bromopropane 3109.2
    gamma-valerolactone 5124.61
    n-decanol 404.53
    triethyl phosphate 458.44
    4-methyl-2-pentanol 1333.94
    propionitrile 3017.14
    vinylene carbonate 1464.19
    1,1,2-trichlorotrifluoroethane 2541.39
    DMS 840.79
    cumene 425.87
    2-octanol 615.89
    2-hexanone 2965.1
    octyl acetate 619.55
    limonene 697.69
    1,2-dimethoxyethane 4729.9
    ethyl orthosilicate 507.58
    tributyl phosphate 441.7
    diacetone alcohol 2401.61
    N,N-dimethylaniline 683.96
    acrylonitrile 2552.91
    aniline 1651.45
    1,3-propanediol 2101.19
    bromobenzene 1614.46
    dibromomethane 3793.42
    1,1,2,2-tetrachloroethane 4721.62
    2-methyl-cyclohexyl acetate 1039.98
    tetrabutyl urea 498.07
    diisobutyl methanol 676.56
    2-phenylethanol 1041.91
    styrene 895.91
    dioctyl adipate 714.75
    dimethyl sulfate 563.73
    ethyl butyrate 1787.87
    methyl lactate 723.32
    butyl lactate 921.69
    diethyl carbonate 866.02
    propanediol butyl ether 1203.03
    triethyl orthoformate 980.21
    p-tert-butyltoluene 351.87
    methyl 4-tert-butylbenzoate 773.11
    morpholine 7743.18
    tert-butylamine 3856.08
    n-dodecanol 279.17
    dimethoxymethane 2127.56
    ethylene carbonate 1446.92
    cyrene 785.28
    2-ethoxyethyl acetate 1665.48
    2-ethylhexyl acetate 1745.64
    1,2,4-trichlorobenzene 1370.65
    4-methylpyridine 3373.81
    dibutyl ether 1540.55
    2,6-dimethyl-4-heptanol 676.56
    DEF 3328.15
    dimethyl isosorbide 1559.82
    tetrachloroethylene 2988.53
    eugenol 769.19
    triacetin 1119.88
    span 80 1062.38
    1,4-butanediol 736.64
    1,1-dichloroethane 4888.34
    2-methyl-1-pentanol 2268.85
    methyl formate 947.38
    2-methyl-1-butanol 3054.94
    n-decane 101.39
    butyronitrile 3833.84
    3,7-dimethyl-1-octanol 853.75
    1-chlorooctane 546.25
    1-chlorotetradecane 153.83
    n-nonane 109.64
    undecane 62.86
    tert-butylcyclohexane 265.87
    cyclooctane 188.96
    cyclopentanol 3109.69
    tetrahydropyran 7955.16
    tert-amyl methyl ether 2883.46
    2,5,8-trioxanonane 1676.81
    1-hexene 2778.79
    2-isopropoxyethanol 2138.33
    2,2,2-trifluoroethanol 465.62
    methyl butyrate 3014.11

    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

Botanical

Name CAS Botanical Proportion
Hop (China) 8007-04-3 Humulus lupulus L., fam. Cannabaceae 0.67%