Nonanoic acid, 1-methylethyl ester

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  • Identifiers

    CAS number
    28267-32-5

    Molecular formula
    C12H24O2

    SMILES
    CCCCCCCCC(=O)OC(C)C

  • Odor profile

    Fragrance
    Fruity 91.63%
    Oily 67.52%
    Winey 66.46%
    Fatty 64.25%
    Waxy 57.04%
    Green 56.27%
    Cognac 52.23%
    Sweet 41.78%
    Apple 41.61%
    Herbal 40.5%

     

    Flavor
    Fruity 68.92%
    Green 48.22%
    Oily 48.14%
    Waxy 47.26%
    Tropical 38.89%
    Soapy 36.97%
    Floral 36.03%
    Pineapple 35.52%
    Sweet 34.69%
    Herbal 34.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.17 (weak base)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 231.00 to 232.00 °C. @ 760.00 mm Hg

    Flash point

    • 95.3 ˚C est.

  • Synonyms

    • Isopropyl nonanoate
    • propan-2-yl nonanoate
    • 28267-32-5
    • Isopropyl nonylate
    • ISOPROPYL PELARGONATE
    • Nonanoic acid, 1-methylethyl ester
    • Isopropyl nonan-1-oate
    • RW24H5S6GT
    • EINECS 248-932-9
    • UNII-RW24H5S6GT
    • AI3-33590
    • DTXSID7067370
    • Isopropyl nonanoate #
    • SCHEMBL29523
    • DTXCID5037787
    • CHEBI:179747
    • LMFA07010923
    • AKOS010484221
    • NS00028444
    • Q63392727
    • 248-932-9

  • Applications

    Nonanoic acid, 1-methylethyl ester (CAS 28267-32-5), also known as isopropyl pelargonate, is used as an emollient and solvent in cosmetics and personal care formulations, helping soften the skin and dissolve active ingredients. In perfumery and fragrance applications, it serves as a solvent and fragrance carrier. It is employed as a processing solvent or plasticizer-compatible component in coatings and inks, aiding film formation and formulation stability. In polymers and plastics, it can act as a plasticizer to improve flexibility of resin systems. In cleaning and industrial formulations, it may be used as a co-solvent to dissolve various components and adjust viscosity. Overall, its roles center on solvent, emollient, fragrance carrier, and plasticizer functions within regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6363.96
    methanol 6169.24
    isopropanol 6575.96
    water 0.17
    ethyl acetate 5428.85
    n-propanol 5577.78
    acetone 9368.2
    n-butanol 5047.29
    acetonitrile 4824.83
    DMF 5272.22
    toluene 2239.27
    isobutanol 4689.47
    1,4-dioxane 5538.31
    methyl acetate 3694.45
    THF 9061.46
    2-butanone 5769.96
    n-pentanol 3656.98
    sec-butanol 5639.81
    n-hexane 3175.1
    ethylene glycol 384.61
    NMP 4462.79
    cyclohexane 2896.95
    DMSO 5636.78
    n-butyl acetate 4893.85
    n-octanol 1637.81
    chloroform 9904.57
    n-propyl acetate 3658.41
    acetic acid 3324.3
    dichloromethane 8556.63
    cyclohexanone 9276.92
    propylene glycol 953.25
    isopropyl acetate 3724.7
    DMAc 3568.18
    2-ethoxyethanol 2621.11
    isopentanol 4689.2
    n-heptane 838.12
    ethyl formate 2540.32
    1,2-dichloroethane 5797.16
    n-hexanol 3765.52
    2-methoxyethanol 4086.58
    isobutyl acetate 2160.44
    tetrachloromethane 1691.74
    n-pentyl acetate 2635.13
    transcutol 7410.66
    n-heptanol 1314.93
    ethylbenzene 1268.76
    MIBK 3132.1
    2-propoxyethanol 3642.01
    tert-butanol 6936.08
    MTBE 6967.34
    2-butoxyethanol 1854.8
    propionic acid 3047.33
    o-xylene 1255.12
    formic acid 567.07
    diethyl ether 7283.33
    m-xylene 1382.62
    p-xylene 1751.98
    chlorobenzene 2984.5
    dimethyl carbonate 728.15
    n-octane 286.67
    formamide 825.29
    cyclopentanone 6878.52
    2-pentanone 5732.45
    anisole 1826.64
    cyclopentyl methyl ether 5621.17
    gamma-butyrolactone 5816.12
    1-methoxy-2-propanol 3556.36
    pyridine 5085.89
    3-pentanone 3412.38
    furfural 3574.54
    n-dodecane 165.51
    diethylene glycol 1486.48
    diisopropyl ether 2081.82
    tert-amyl alcohol 5572.05
    acetylacetone 3984.42
    n-hexadecane 199.68
    acetophenone 1621.71
    methyl propionate 3087.04
    isopentyl acetate 4026.87
    trichloroethylene 8182.22
    n-nonanol 1290.1
    cyclohexanol 5615.74
    benzyl alcohol 1491.03
    2-ethylhexanol 2315.04
    isooctanol 1144.26
    dipropyl ether 3189.85
    1,2-dichlorobenzene 2377.93
    ethyl lactate 911.19
    propylene carbonate 3031.01
    n-methylformamide 2433.64
    2-pentanol 4167.64
    n-pentane 1569.74
    1-propoxy-2-propanol 3318.18
    1-methoxy-2-propyl acetate 2716.39
    2-(2-methoxypropoxy) propanol 1513.8
    mesitylene 979.48
    ε-caprolactone 5901.83
    p-cymene 744.67
    epichlorohydrin 5974.69
    1,1,1-trichloroethane 6161.68
    2-aminoethanol 1306.97
    morpholine-4-carbaldehyde 3621.91
    sulfolane 6059.01
    2,2,4-trimethylpentane 511.13
    2-methyltetrahydrofuran 8477.24
    n-hexyl acetate 3586.4
    isooctane 374.32
    2-(2-butoxyethoxy)ethanol 2228.39
    sec-butyl acetate 2444.36
    tert-butyl acetate 3728.44
    decalin 864.93
    glycerin 851.48
    diglyme 3816.66
    acrylic acid 1796.99
    isopropyl myristate 1106.34
    n-butyric acid 5536.88
    acetyl acetate 2315.0
    di(2-ethylhexyl) phthalate 808.48
    ethyl propionate 2712.09
    nitromethane 4851.2
    1,2-diethoxyethane 3690.33
    benzonitrile 2498.97
    trioctyl phosphate 639.73
    1-bromopropane 5407.5
    gamma-valerolactone 6731.01
    n-decanol 846.09
    triethyl phosphate 815.77
    4-methyl-2-pentanol 1937.88
    propionitrile 4030.76
    vinylene carbonate 2435.31
    1,1,2-trichlorotrifluoroethane 3493.87
    DMS 1590.29
    cumene 846.7
    2-octanol 1188.34
    2-hexanone 4234.3
    octyl acetate 1338.15
    limonene 1600.0
    1,2-dimethoxyethane 5531.91
    ethyl orthosilicate 886.68
    tributyl phosphate 889.78
    diacetone alcohol 2932.48
    N,N-dimethylaniline 1221.38
    acrylonitrile 3492.85
    aniline 2403.45
    1,3-propanediol 2096.64
    bromobenzene 3472.05
    dibromomethane 6961.7
    1,1,2,2-tetrachloroethane 7587.32
    2-methyl-cyclohexyl acetate 1828.26
    tetrabutyl urea 1111.55
    diisobutyl methanol 1145.16
    2-phenylethanol 1536.63
    styrene 1671.08
    dioctyl adipate 1451.4
    dimethyl sulfate 1156.31
    ethyl butyrate 2640.58
    methyl lactate 971.89
    butyl lactate 1541.54
    diethyl carbonate 1294.16
    propanediol butyl ether 1700.28
    triethyl orthoformate 1534.54
    p-tert-butyltoluene 706.52
    methyl 4-tert-butylbenzoate 1327.4
    morpholine 8075.46
    tert-butylamine 4810.22
    n-dodecanol 611.04
    dimethoxymethane 2876.62
    ethylene carbonate 2492.06
    cyrene 1147.23
    2-ethoxyethyl acetate 2305.73
    2-ethylhexyl acetate 2983.44
    1,2,4-trichlorobenzene 2569.3
    4-methylpyridine 5339.09
    dibutyl ether 3152.52
    2,6-dimethyl-4-heptanol 1145.16
    DEF 4858.37
    dimethyl isosorbide 2402.3
    tetrachloroethylene 4819.26
    eugenol 1178.62
    triacetin 1989.03
    span 80 1726.98
    1,4-butanediol 898.46
    1,1-dichloroethane 7131.74
    2-methyl-1-pentanol 3095.96
    methyl formate 1493.48
    2-methyl-1-butanol 4268.12
    n-decane 355.05
    butyronitrile 5462.01
    3,7-dimethyl-1-octanol 1670.22
    1-chlorooctane 1389.1
    1-chlorotetradecane 436.96
    n-nonane 403.52
    undecane 227.78
    tert-butylcyclohexane 768.54
    cyclooctane 685.18
    cyclopentanol 5122.38
    tetrahydropyran 10477.06
    tert-amyl methyl ether 4267.05
    2,5,8-trioxanonane 2269.79
    1-hexene 6369.72
    2-isopropoxyethanol 2160.87
    2,2,2-trifluoroethanol 736.14
    methyl butyrate 4256.75

    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