Methyl nonanoate

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  • Identifiers

    CAS number
    1731-84-6

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCCCC(=O)OC

    Retention indicies (RI)

    • DB5: 1225.5
    • Carbowax: 1483.0

  • Odor profile

    Fruity 89.85%
    Waxy 72.49%
    Sweet 72.16%
    Fatty 69.43%
    Green 68.76%
    Winey 64.44%
    Oily 58.42%
    Floral 58.17%
    Cognac 49.03%
    Rose 42.44%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • -35 °C

    Boiling point

    • 213.00 to 214.00 °C. @ 760.00 mm Hg

    Flash point est.
    79.53 ˚C

    Solubility expt.

    • 0.0229 mg/mL at 25 °C
    • soluble in alcohol, ether; insoluble in water

  • Synonyms

    • METHYL NONANOATE
    • 1731-84-6
    • Methyl pelargonate
    • Methyl nonylate
    • Methyl n-nonanoate
    • Nonanoic acid, methyl ester
    • Pelargonic acid methyl ester
    • Nonanoic acid methyl ester
    • FEMA No. 2724
    • Methyl ester nonanoic acid
    • EINECS 217-052-7
    • 7XKD6QOH68
    • MFCD00009569
    • BRN 1754521
    • METHYL NONANOATE (ESTER)
    • CHEBI:44499
    • AI3-28570
    • C09 FAME
    • Methyl ester of nonanoic acid
    • METHYL NONANOATE [FHFI]
    • DTXSID8061921
    • nonanoic acid-methyl ester
    • UNII-7XKD6QOH68
    • methylnonanoate
    • FEMA 2724
    • Methyl nonanoate, 98%
    • Nonanoic acid,methylester
    • Methyl nonanoate, >=97%
    • SCHEMBL309872
    • CHEMBL1234788
    • DTXCID6035522
    • METHYL PELARGONATE [INCI]
    • LMFA07010963
    • Methyl nonanoate, analytical standard
    • AKOS009156979
    • CS-W016024
    • DB01631
    • HY-W015308
    • Nonanoic acid methyl ester (FAME MIX)
    • AS-59252
    • SY051809
    • DB-043926
    • N0290
    • NS00012958
    • S0307
    • D91668
    • Q3343334
    • 9FC84B34-DA35-40AA-9DF2-ACE87C6E3070
    • 217-052-7

  • Applications

    Methyl nonanoate (methyl pelargonate, CAS 1731-84-6) finds wide use thanks to its pleasant fruity–waxy odor, moderate volatility, and biodegradability: as a flavor and fragrance ingredient and carrier solvent in perfumes, personal care, cleaners, and foods (subject to applicable regulations); as a bio-based solvent/co-solvent in coatings, inks, and as an inert carrier in agrochemical and pheromone lure formulations; as a synthetic intermediate that can be hydrolyzed to nonanoic acid or converted to nonanoyl chloride to make bleach activators (nonanoyloxy compounds), peroxycarboxylic acids for disinfection/epoxidation, amides/surfactants, and lubricant/plasticizer esters via transesterification; in energy and analytics, it serves as a representative FAME for biodiesel used as a GC/GC–MS reference standard, in combustion-kinetics and engine-spray studies, and as a lubricity improver for ultra-low-sulfur diesel; it also functions broadly as an odor carrier, solvency aid, and surface-modifying component in many green formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9051.69
    methanol 10015.23
    isopropanol 8415.47
    water 0.11
    ethyl acetate 7656.72
    n-propanol 7180.34
    acetone 14132.63
    n-butanol 5637.15
    acetonitrile 7866.16
    DMF 6943.24
    toluene 2076.49
    isobutanol 5057.49
    1,4-dioxane 7574.03
    methyl acetate 5102.8
    THF 9138.14
    2-butanone 8241.92
    n-pentanol 3783.69
    sec-butanol 6269.97
    n-hexane 1282.38
    ethylene glycol 518.71
    NMP 3868.37
    cyclohexane 1436.02
    DMSO 8863.76
    n-butyl acetate 4889.69
    n-octanol 1037.55
    chloroform 9267.09
    n-propyl acetate 4912.69
    acetic acid 4407.11
    dichloromethane 8900.29
    cyclohexanone 9391.5
    propylene glycol 1188.67
    isopropyl acetate 4478.05
    DMAc 3399.53
    2-ethoxyethanol 3880.11
    isopentanol 4791.63
    n-heptane 351.96
    ethyl formate 3352.45
    1,2-dichloroethane 6648.19
    n-hexanol 2940.74
    2-methoxyethanol 6490.79
    isobutyl acetate 2250.24
    tetrachloromethane 1532.55
    n-pentyl acetate 2371.88
    transcutol 9934.95
    n-heptanol 1008.38
    ethylbenzene 1058.35
    MIBK 2987.66
    2-propoxyethanol 3835.68
    tert-butanol 8919.7
    MTBE 7904.59
    2-butoxyethanol 1937.63
    propionic acid 3632.91
    o-xylene 1034.48
    formic acid 758.39
    diethyl ether 8943.93
    m-xylene 1187.2
    p-xylene 1315.85
    chlorobenzene 2650.05
    dimethyl carbonate 710.54
    n-octane 127.34
    formamide 1491.21
    cyclopentanone 7588.29
    2-pentanone 6978.91
    anisole 1897.19
    cyclopentyl methyl ether 5419.14
    gamma-butyrolactone 6580.14
    1-methoxy-2-propanol 4762.19
    pyridine 6720.19
    3-pentanone 3865.06
    furfural 4081.5
    n-dodecane 70.09
    diethylene glycol 1888.93
    diisopropyl ether 1727.21
    tert-amyl alcohol 6196.86
    acetylacetone 4726.54
    n-hexadecane 85.34
    acetophenone 1573.77
    methyl propionate 3841.95
    isopentyl acetate 3580.83
    trichloroethylene 9773.31
    n-nonanol 842.71
    cyclohexanol 5034.82
    benzyl alcohol 1556.35
    2-ethylhexanol 1752.09
    isooctanol 889.22
    dipropyl ether 2721.23
    1,2-dichlorobenzene 2023.37
    ethyl lactate 978.8
    propylene carbonate 2809.76
    n-methylformamide 3910.24
    2-pentanol 4048.93
    n-pentane 709.51
    1-propoxy-2-propanol 3272.75
    1-methoxy-2-propyl acetate 2872.11
    2-(2-methoxypropoxy) propanol 1379.15
    mesitylene 729.53
    ε-caprolactone 6206.36
    p-cymene 520.59
    epichlorohydrin 7281.66
    1,1,1-trichloroethane 6352.41
    2-aminoethanol 1873.89
    morpholine-4-carbaldehyde 4053.23
    sulfolane 6054.27
    2,2,4-trimethylpentane 245.23
    2-methyltetrahydrofuran 9019.17
    n-hexyl acetate 2598.29
    isooctane 193.87
    2-(2-butoxyethoxy)ethanol 2261.34
    sec-butyl acetate 2750.33
    tert-butyl acetate 3757.67
    decalin 437.34
    glycerin 1122.87
    diglyme 4306.55
    acrylic acid 2162.74
    isopropyl myristate 713.72
    n-butyric acid 6596.49
    acetyl acetate 2627.74
    di(2-ethylhexyl) phthalate 550.33
    ethyl propionate 3368.48
    nitromethane 7349.51
    1,2-diethoxyethane 4394.82
    benzonitrile 2605.54
    trioctyl phosphate 425.77
    1-bromopropane 5232.9
    gamma-valerolactone 7873.04
    n-decanol 539.04
    triethyl phosphate 659.6
    4-methyl-2-pentanol 1651.99
    propionitrile 5524.66
    vinylene carbonate 2421.33
    1,1,2-trichlorotrifluoroethane 4219.9
    DMS 1362.91
    cumene 607.61
    2-octanol 851.02
    2-hexanone 4609.03
    octyl acetate 874.01
    limonene 994.03
    1,2-dimethoxyethane 6909.07
    ethyl orthosilicate 703.81
    tributyl phosphate 624.81
    diacetone alcohol 3263.82
    N,N-dimethylaniline 1026.69
    acrylonitrile 5242.07
    aniline 2738.95
    1,3-propanediol 3029.76
    bromobenzene 2897.06
    dibromomethane 6735.32
    1,1,2,2-tetrachloroethane 8138.34
    2-methyl-cyclohexyl acetate 1375.83
    tetrabutyl urea 760.59
    diisobutyl methanol 874.65
    2-phenylethanol 1422.11
    styrene 1589.28
    dioctyl adipate 1007.87
    dimethyl sulfate 1095.77
    ethyl butyrate 2742.08
    methyl lactate 1112.22
    butyl lactate 1428.65
    diethyl carbonate 1325.43
    propanediol butyl ether 1696.2
    triethyl orthoformate 1420.95
    p-tert-butyltoluene 495.05
    methyl 4-tert-butylbenzoate 1070.05
    morpholine 11526.14
    tert-butylamine 5520.18
    n-dodecanol 374.02
    dimethoxymethane 3621.4
    ethylene carbonate 2358.61
    cyrene 998.51
    2-ethoxyethyl acetate 2570.0
    2-ethylhexyl acetate 2542.64
    1,2,4-trichlorobenzene 2161.48
    4-methylpyridine 6040.89
    dibutyl ether 2438.93
    2,6-dimethyl-4-heptanol 874.65
    DEF 6036.32
    dimethyl isosorbide 2097.42
    tetrachloroethylene 5420.31
    eugenol 1065.74
    triacetin 1623.81
    span 80 1396.9
    1,4-butanediol 1043.1
    1,1-dichloroethane 8140.52
    2-methyl-1-pentanol 3060.19
    methyl formate 2082.39
    2-methyl-1-butanol 4264.09
    n-decane 155.16
    butyronitrile 6276.92
    3,7-dimethyl-1-octanol 1095.84
    1-chlorooctane 826.74
    1-chlorotetradecane 230.78
    n-nonane 172.76
    undecane 98.18
    tert-butylcyclohexane 385.67
    cyclooctane 300.88
    cyclopentanol 4747.1
    tetrahydropyran 11829.32
    tert-amyl methyl ether 4099.52
    2,5,8-trioxanonane 2299.52
    1-hexene 4430.53
    2-isopropoxyethanol 2855.45
    2,2,2-trifluoroethanol 827.29
    methyl butyrate 5247.3

    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
Schinus molle 68917-52-2 Schinus molle L., fam. Anarcadiaceae 0.05%
Hop (Neomexicanus cultivar) (USA) 8007-04-3 Humulus lupulus L., var. neomeaxicanus Nels. & Cockerell, fam. Cannabaceae 0.12%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.05%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.09%
Hop (China) 8007-04-3 Humulus lupulus L., fam. Cannabaceae 0.44%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.01%