(S)-3-methylnonanoic acid

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  • Identifiers

    CAS number
    35205-79-9

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCC(C)CC(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 83.47%
    Waxy 71.39%
    Cheesy 61.64%
    Dairy 59.28%
    Green 55.26%
    Fruity 51.7%
    Oily 50.29%
    Milky 44.38%
    Creamy 44.13%
    Sour 42.71%

     

    Flavor
    Fatty 59.38%
    Waxy 47.77%
    Green 44.86%
    Oily 42.34%
    Cheese 40.06%
    Fat 34.29%
    Fruity 33.11%
    Creamy 28.51%
    Mild 26.99%
    Sour 26.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.03 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    257°C

    Flash point

    • 121.49 ˚C est.

  • Synonyms

    • (S)-3-Methylnonanoic acid
    • RefChem:408017
    • 621-883-4
    • 3-Methylnonanoic acid
    • 35205-79-9
    • 3-methyl-nonanoic acid
    • NSC-30203
    • Nonanoic acid,3-methyl-
    • Nonanoic acid, 3-methyl-
    • NSC30203
    • l-3-Methylnonanoic acid
    • 2Z3MD2X3AF
    • SCHEMBL1234905
    • SCHEMBL28140270
    • CHEBI:165363
    • KBA20579
    • LMFA01020154
    • MFCD02258980
    • NSC 30203
    • AKOS008119222
    • SB46775
    • (S)-3-methylnonanoic acid, AldrichCPR
    • EN300-67149
    • H52742
    • A1-03496
    • Z362824108
    • 35205-79-9

  • Applications

    (S)-3-methylnonanoic acid is a chiral, branched C10 fatty acid that is typically used as a building block in organic synthesis. In industry, it is commonly employed as an intermediate for enantioselective synthesis of pharmaceutical and agrochemical compounds, and as a precursor for fragrance and flavor esters in perfumery and food applications. It may also be converted to ester derivatives for cosmetics and personal care formulations, and can serve as a raw material for the production of specialty polymers or plasticizers. Additionally, its fatty-acid character makes it suitable for incorporation into surfactants or cleaning formulations. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5669.92
    methanol 7230.82
    isopropanol 5228.94
    water 0.61
    ethyl acetate 1782.59
    n-propanol 4050.96
    acetone 4764.62
    n-butanol 3376.63
    acetonitrile 1167.79
    DMF 3452.33
    toluene 295.14
    isobutanol 3119.82
    1,4-dioxane 2386.55
    methyl acetate 1084.65
    THF 5678.1
    2-butanone 2079.83
    n-pentanol 2414.39
    sec-butanol 2929.44
    n-hexane 654.47
    ethylene glycol 737.97
    NMP 2098.5
    cyclohexane 287.47
    DMSO 4617.17
    n-butyl acetate 1659.25
    n-octanol 609.82
    chloroform 1285.26
    n-propyl acetate 1283.9
    acetic acid 2051.29
    dichloromethane 950.79
    cyclohexanone 2944.64
    propylene glycol 1422.21
    isopropyl acetate 1431.75
    DMAc 1360.19
    2-ethoxyethanol 1877.58
    isopentanol 2843.27
    n-heptane 134.99
    ethyl formate 875.27
    1,2-dichloroethane 1145.37
    n-hexanol 2528.77
    2-methoxyethanol 3691.45
    isobutyl acetate 826.4
    tetrachloromethane 241.31
    n-pentyl acetate 696.37
    transcutol 3929.35
    n-heptanol 734.92
    ethylbenzene 216.76
    MIBK 1474.14
    2-propoxyethanol 2899.17
    tert-butanol 5350.87
    MTBE 2751.33
    2-butoxyethanol 1181.8
    propionic acid 1593.05
    o-xylene 231.8
    formic acid 609.62
    diethyl ether 1941.92
    m-xylene 342.96
    p-xylene 292.0
    chlorobenzene 425.62
    dimethyl carbonate 263.94
    n-octane 43.69
    formamide 748.3
    cyclopentanone 3285.35
    2-pentanone 2434.41
    anisole 528.1
    cyclopentyl methyl ether 2643.22
    gamma-butyrolactone 2839.27
    1-methoxy-2-propanol 3186.83
    pyridine 1031.27
    3-pentanone 1064.48
    furfural 1370.58
    n-dodecane 24.97
    diethylene glycol 1578.1
    diisopropyl ether 706.66
    tert-amyl alcohol 3037.95
    acetylacetone 1657.28
    n-hexadecane 28.98
    acetophenone 460.57
    methyl propionate 1121.63
    isopentyl acetate 1456.12
    trichloroethylene 1544.34
    n-nonanol 482.5
    cyclohexanol 2249.11
    benzyl alcohol 557.65
    2-ethylhexanol 1046.97
    isooctanol 581.29
    dipropyl ether 1084.46
    1,2-dichlorobenzene 404.79
    ethyl lactate 410.58
    propylene carbonate 1154.23
    n-methylformamide 1862.13
    2-pentanol 2277.93
    n-pentane 262.87
    1-propoxy-2-propanol 2101.74
    1-methoxy-2-propyl acetate 1304.2
    2-(2-methoxypropoxy) propanol 725.69
    mesitylene 255.04
    ε-caprolactone 1917.53
    p-cymene 155.83
    epichlorohydrin 2618.04
    1,1,1-trichloroethane 941.62
    2-aminoethanol 2064.28
    morpholine-4-carbaldehyde 1830.89
    sulfolane 3168.49
    2,2,4-trimethylpentane 109.46
    2-methyltetrahydrofuran 3731.8
    n-hexyl acetate 1006.15
    isooctane 119.14
    2-(2-butoxyethoxy)ethanol 1262.27
    sec-butyl acetate 880.89
    tert-butyl acetate 1587.08
    decalin 131.8
    glycerin 1210.58
    diglyme 1878.5
    acrylic acid 938.24
    isopropyl myristate 292.54
    n-butyric acid 2999.49
    acetyl acetate 617.13
    di(2-ethylhexyl) phthalate 270.18
    ethyl propionate 860.8
    nitromethane 2051.15
    1,2-diethoxyethane 1277.57
    benzonitrile 600.25
    trioctyl phosphate 239.84
    1-bromopropane 833.15
    gamma-valerolactone 3148.07
    n-decanol 349.03
    triethyl phosphate 230.49
    4-methyl-2-pentanol 1181.91
    propionitrile 1198.58
    vinylene carbonate 766.92
    1,1,2-trichlorotrifluoroethane 1431.87
    DMS 418.82
    cumene 187.77
    2-octanol 482.59
    2-hexanone 1636.01
    octyl acetate 387.36
    limonene 348.86
    1,2-dimethoxyethane 2668.06
    ethyl orthosilicate 261.93
    tributyl phosphate 292.94
    diacetone alcohol 1966.62
    N,N-dimethylaniline 361.55
    acrylonitrile 1052.47
    aniline 681.72
    1,3-propanediol 2579.22
    bromobenzene 375.76
    dibromomethane 781.35
    1,1,2,2-tetrachloroethane 1509.15
    2-methyl-cyclohexyl acetate 578.97
    tetrabutyl urea 360.59
    diisobutyl methanol 494.9
    2-phenylethanol 684.94
    styrene 256.53
    dioctyl adipate 394.3
    dimethyl sulfate 439.75
    ethyl butyrate 805.1
    methyl lactate 594.89
    butyl lactate 610.84
    diethyl carbonate 340.16
    propanediol butyl ether 1117.56
    triethyl orthoformate 492.14
    p-tert-butyltoluene 175.74
    methyl 4-tert-butylbenzoate 472.64
    morpholine 3837.05
    tert-butylamine 2950.93
    n-dodecanol 243.51
    dimethoxymethane 1811.71
    ethylene carbonate 782.09
    cyrene 586.57
    2-ethoxyethyl acetate 751.94
    2-ethylhexyl acetate 940.69
    1,2,4-trichlorobenzene 455.03
    4-methylpyridine 1170.9
    dibutyl ether 718.76
    2,6-dimethyl-4-heptanol 494.9
    DEF 1899.64
    dimethyl isosorbide 1095.67
    tetrachloroethylene 999.31
    eugenol 486.38
    triacetin 558.34
    span 80 778.39
    1,4-butanediol 967.8
    1,1-dichloroethane 1227.69
    2-methyl-1-pentanol 1723.3
    methyl formate 852.73
    2-methyl-1-butanol 2271.23
    n-decane 52.58
    butyronitrile 1750.91
    3,7-dimethyl-1-octanol 642.72
    1-chlorooctane 286.09
    1-chlorotetradecane 80.64
    n-nonane 56.29
    undecane 34.56
    tert-butylcyclohexane 161.57
    cyclooctane 82.32
    cyclopentanol 2791.72
    tetrahydropyran 3533.6
    tert-amyl methyl ether 1519.41
    2,5,8-trioxanonane 1092.62
    1-hexene 1611.99
    2-isopropoxyethanol 1447.45
    2,2,2-trifluoroethanol 410.13
    methyl butyrate 1329.4

    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