7-Methylnonanoic acid

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  • Identifiers

    CAS number
    41653-89-8

    Molecular formula
    C10H20O2

    SMILES
    CCC(C)CCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 84.03%
    Waxy 67.98%
    Cheesy 53.32%
    Dairy 51.19%
    Milky 45.91%
    Creamy 42.02%
    Oily 40.58%
    Sour 40.24%
    Sweaty 36.25%
    Citrus 34.09%

     

    Flavor
    Fatty 64.25%
    Waxy 54.92%
    Cheese 45.16%
    Oily 42.59%
    Fat 37.69%
    Green 35.76%
    Creamy 32.83%
    Rancid 31.21%
    Coconut 30.72%
    Sour 30.22%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.44 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    261°C

    Flash point

    • 120.66 ˚C est.

  • Synonyms

    • 7-methylnonanoic acid
    • 41653-89-8
    • 7-methyl-nonanoic acid
    • LMFA01020246
    • SCHEMBL2206470
    • SCHEMBL8812762
    • DTXSID40415558
    • CHEBI:179563
    • TUIJQPRMECGEKA-UHFFFAOYSA-N
    • MFCD02258707
    • AKOS006276026
    • AS-82704
    • G63750
    • 41653-89-8

  • Applications

    7-Methylnonanoic acid (CAS 41653-89-8) is primarily used as an industrial intermediate for the synthesis of branched C10 esters, including fragrance esters for perfumery and flavor applications, and as a building block in specialty polymers and alkyd coating resins; it also serves as a starting material for lubricant or plasticizer precursors and can be converted into surfactant or emollient esters for cosmetics and personal care formulations; in cleaning formulations it may act as a processing aid or precursor to surface-active ingredients; overall use is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3183.83
    methanol 2970.3
    isopropanol 2950.52
    water 0.21
    ethyl acetate 1193.29
    n-propanol 2086.08
    acetone 2242.1
    n-butanol 1790.08
    acetonitrile 606.48
    DMF 1513.43
    toluene 173.07
    isobutanol 1538.87
    1,4-dioxane 1555.33
    methyl acetate 695.42
    THF 3369.37
    2-butanone 1323.44
    n-pentanol 1458.15
    sec-butanol 1569.94
    n-hexane 281.26
    ethylene glycol 268.47
    NMP 886.28
    cyclohexane 105.72
    DMSO 2166.73
    n-butyl acetate 1106.58
    n-octanol 381.92
    chloroform 625.08
    n-propyl acetate 903.98
    acetic acid 834.31
    dichloromethane 525.58
    cyclohexanone 1501.81
    propylene glycol 681.88
    isopropyl acetate 965.89
    DMAc 786.45
    2-ethoxyethanol 1384.23
    isopentanol 1625.06
    n-heptane 70.96
    ethyl formate 484.86
    1,2-dichloroethane 602.07
    n-hexanol 1484.79
    2-methoxyethanol 2213.29
    isobutyl acetate 605.04
    tetrachloromethane 124.85
    n-pentyl acetate 469.48
    transcutol 3074.93
    n-heptanol 487.83
    ethylbenzene 145.99
    MIBK 922.41
    2-propoxyethanol 1848.72
    tert-butanol 3398.68
    MTBE 1912.82
    2-butoxyethanol 792.87
    propionic acid 791.19
    o-xylene 141.59
    formic acid 221.19
    diethyl ether 1199.32
    m-xylene 215.61
    p-xylene 188.84
    chlorobenzene 218.74
    dimethyl carbonate 123.53
    n-octane 26.96
    formamide 338.32
    cyclopentanone 1723.56
    2-pentanone 1389.23
    anisole 371.1
    cyclopentyl methyl ether 1415.05
    gamma-butyrolactone 1480.45
    1-methoxy-2-propanol 2039.26
    pyridine 577.6
    3-pentanone 568.82
    furfural 722.7
    n-dodecane 17.26
    diethylene glycol 1003.86
    diisopropyl ether 455.5
    tert-amyl alcohol 1845.47
    acetylacetone 1031.32
    n-hexadecane 19.91
    acetophenone 304.33
    methyl propionate 632.5
    isopentyl acetate 1001.55
    trichloroethylene 794.92
    n-nonanol 327.93
    cyclohexanol 1096.82
    benzyl alcohol 362.57
    2-ethylhexanol 670.7
    isooctanol 401.49
    dipropyl ether 690.89
    1,2-dichlorobenzene 206.01
    ethyl lactate 266.38
    propylene carbonate 614.62
    n-methylformamide 812.45
    2-pentanol 1296.37
    n-pentane 102.96
    1-propoxy-2-propanol 1432.74
    1-methoxy-2-propyl acetate 945.3
    2-(2-methoxypropoxy) propanol 533.79
    mesitylene 149.05
    ε-caprolactone 1065.87
    p-cymene 105.66
    epichlorohydrin 1504.71
    1,1,1-trichloroethane 512.41
    2-aminoethanol 946.14
    morpholine-4-carbaldehyde 1052.78
    sulfolane 1472.84
    2,2,4-trimethylpentane 63.43
    2-methyltetrahydrofuran 2284.23
    n-hexyl acetate 659.28
    isooctane 72.27
    2-(2-butoxyethoxy)ethanol 956.91
    sec-butyl acetate 641.6
    tert-butyl acetate 1121.19
    decalin 71.32
    glycerin 614.76
    diglyme 1422.21
    acrylic acid 388.41
    isopropyl myristate 204.51
    n-butyric acid 1578.37
    acetyl acetate 373.43
    di(2-ethylhexyl) phthalate 181.37
    ethyl propionate 582.48
    nitromethane 967.59
    1,2-diethoxyethane 1060.29
    benzonitrile 342.02
    trioctyl phosphate 154.61
    1-bromopropane 448.98
    gamma-valerolactone 1767.97
    n-decanol 241.4
    triethyl phosphate 162.44
    4-methyl-2-pentanol 752.17
    propionitrile 599.28
    vinylene carbonate 392.84
    1,1,2-trichlorotrifluoroethane 759.63
    DMS 259.61
    cumene 126.31
    2-octanol 321.91
    2-hexanone 1115.25
    octyl acetate 261.13
    limonene 216.75
    1,2-dimethoxyethane 1785.38
    ethyl orthosilicate 187.38
    tributyl phosphate 187.72
    diacetone alcohol 1302.5
    N,N-dimethylaniline 239.14
    acrylonitrile 491.55
    aniline 390.27
    1,3-propanediol 1437.1
    bromobenzene 200.91
    dibromomethane 434.46
    1,1,2,2-tetrachloroethane 772.24
    2-methyl-cyclohexyl acetate 396.78
    tetrabutyl urea 226.18
    diisobutyl methanol 329.39
    2-phenylethanol 462.09
    styrene 164.02
    dioctyl adipate 277.97
    dimethyl sulfate 207.27
    ethyl butyrate 587.4
    methyl lactate 325.07
    butyl lactate 372.29
    diethyl carbonate 244.42
    propanediol butyl ether 734.59
    triethyl orthoformate 345.28
    p-tert-butyltoluene 119.41
    methyl 4-tert-butylbenzoate 320.81
    morpholine 2415.93
    tert-butylamine 1816.3
    n-dodecanol 168.19
    dimethoxymethane 957.36
    ethylene carbonate 396.14
    cyrene 390.84
    2-ethoxyethyl acetate 554.95
    2-ethylhexyl acetate 659.26
    1,2,4-trichlorobenzene 240.81
    4-methylpyridine 691.66
    dibutyl ether 482.23
    2,6-dimethyl-4-heptanol 329.39
    DEF 1064.39
    dimethyl isosorbide 786.19
    tetrachloroethylene 498.57
    eugenol 334.9
    triacetin 385.73
    span 80 534.49
    1,4-butanediol 539.13
    1,1-dichloroethane 675.43
    2-methyl-1-pentanol 1080.64
    methyl formate 347.38
    2-methyl-1-butanol 1179.46
    n-decane 34.63
    butyronitrile 920.49
    3,7-dimethyl-1-octanol 439.91
    1-chlorooctane 177.18
    1-chlorotetradecane 54.82
    n-nonane 35.26
    undecane 23.87
    tert-butylcyclohexane 96.78
    cyclooctane 35.37
    cyclopentanol 1375.65
    tetrahydropyran 2058.57
    tert-amyl methyl ether 972.19
    2,5,8-trioxanonane 805.63
    1-hexene 888.05
    2-isopropoxyethanol 1093.48
    2,2,2-trifluoroethanol 164.17
    methyl butyrate 868.89

    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