3-Methyl-2-nonenoic acid

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  • Identifiers

    CAS number
    35205-76-6

    Molecular formula
    C10H18O2

    SMILES
    CCCCCC/C(=C/C(=O)O)/C

    Safety labels

  • Odor profile

    Fragrance
    Green 68.79%
    Floral 64.02%
    Fruity 63.86%
    Fatty 63.53%
    Waxy 61.13%
    Herbal 56.35%
    Citrus 50.02%
    Fresh 48.31%
    Sweet 45.8%
    Woody 40.86%

     

    Flavor
    Green 59.29%
    Fatty 48.45%
    Waxy 42.12%
    Fruity 41.39%
    Woody 40.51%
    Herbal 35.02%
    Oily 34.03%
    Sweet 33.78%
    Fat 30.93%
    Floral 30.39%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.64 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    257°C

    Flash point

    • 126.39 ˚C est.

  • Synonyms

    • 3-Methyl-2-nonenoic acid
    • 3-Methylnon-2-enoic acid
    • 2-Nonenoic acid, 3-methyl-
    • 67UL5TM8VF
    • DTXSID5067897
    • RefChem:94737
    • DTXCID0038964
    • 252-435-2
    • (E)-3-methylnon-2-enoic acid
    • 35205-76-6
    • EINECS 252-435-2
    • LMFA01020128
    • UNII-67UL5TM8VF
    • (E)-3-methylnon-2-enoicacid
    • SCHEMBL3507751
    • (E)-3-methyl-non-2-enoic acid
    • CHEBI:180248
    • UOOWECZOWUNYLA-CMDGGOBGSA-N
    • 30801-92-4
    • 35205-76-6

  • Applications

    3-Methyl-2-nonenoic acid (CAS 35205-76-6) is used as a chemical building block in organic synthesis and is evaluated as a fragrance ingredient in perfumery due to its unsaturated aliphatic carboxylic acid framework. It may also find use in cosmetics and personal care formulations as a fragrance component, and in household products as an odorant additive. In industrial manufacturing, it serves as an intermediate for the preparation of aroma compounds and related esters used in fragrance materials. Depending on regulatory constraints and formulation needs, it may be incorporated into specialty materials or used as a starting material for further derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3705.71
    methanol 5088.24
    isopropanol 2842.91
    water 0.43
    ethyl acetate 1217.0
    n-propanol 2775.62
    acetone 2677.42
    n-butanol 2179.53
    acetonitrile 740.22
    DMF 3232.56
    toluene 207.02
    isobutanol 1944.18
    1,4-dioxane 1475.21
    methyl acetate 795.22
    THF 3782.1
    2-butanone 1574.48
    n-pentanol 1644.22
    sec-butanol 1865.53
    n-hexane 304.44
    ethylene glycol 562.01
    NMP 1996.91
    cyclohexane 114.26
    DMSO 3708.7
    n-butyl acetate 997.22
    n-octanol 350.81
    chloroform 708.74
    n-propyl acetate 792.44
    acetic acid 1336.09
    dichloromethane 577.67
    cyclohexanone 1910.09
    propylene glycol 1035.86
    isopropyl acetate 848.67
    DMAc 1283.13
    2-ethoxyethanol 1384.79
    isopentanol 1756.42
    n-heptane 55.35
    ethyl formate 551.4
    1,2-dichloroethane 762.28
    n-hexanol 1726.34
    2-methoxyethanol 2940.45
    isobutyl acetate 504.44
    tetrachloromethane 121.23
    n-pentyl acetate 398.23
    transcutol 2966.44
    n-heptanol 436.05
    ethylbenzene 147.72
    MIBK 956.95
    2-propoxyethanol 2065.22
    tert-butanol 3059.54
    MTBE 1665.72
    2-butoxyethanol 784.07
    propionic acid 1117.7
    o-xylene 159.99
    formic acid 453.22
    diethyl ether 1217.55
    m-xylene 248.88
    p-xylene 175.61
    chlorobenzene 277.88
    dimethyl carbonate 230.87
    n-octane 19.32
    formamide 631.47
    cyclopentanone 2467.05
    2-pentanone 1669.9
    anisole 377.94
    cyclopentyl methyl ether 1957.44
    gamma-butyrolactone 2089.43
    1-methoxy-2-propanol 2352.22
    pyridine 693.06
    3-pentanone 808.5
    furfural 915.02
    n-dodecane 12.28
    diethylene glycol 1153.65
    diisopropyl ether 410.99
    tert-amyl alcohol 1972.54
    acetylacetone 1131.93
    n-hexadecane 14.17
    acetophenone 317.81
    methyl propionate 943.67
    isopentyl acetate 888.6
    trichloroethylene 1042.21
    n-nonanol 287.98
    cyclohexanol 1391.82
    benzyl alcohol 393.65
    2-ethylhexanol 639.36
    isooctanol 345.95
    dipropyl ether 586.27
    1,2-dichlorobenzene 250.98
    ethyl lactate 282.64
    propylene carbonate 774.98
    n-methylformamide 1461.55
    2-pentanol 1407.08
    n-pentane 131.42
    1-propoxy-2-propanol 1388.7
    1-methoxy-2-propyl acetate 899.55
    2-(2-methoxypropoxy) propanol 527.84
    mesitylene 169.29
    ε-caprolactone 1304.73
    p-cymene 95.41
    epichlorohydrin 1968.11
    1,1,1-trichloroethane 546.37
    2-aminoethanol 1563.42
    morpholine-4-carbaldehyde 1441.04
    sulfolane 2405.12
    2,2,4-trimethylpentane 61.52
    2-methyltetrahydrofuran 2738.29
    n-hexyl acetate 610.15
    isooctane 67.37
    2-(2-butoxyethoxy)ethanol 930.29
    sec-butyl acetate 527.0
    tert-butyl acetate 1003.0
    decalin 65.38
    glycerin 958.2
    diglyme 1298.73
    acrylic acid 673.75
    isopropyl myristate 172.55
    n-butyric acid 1760.05
    acetyl acetate 355.28
    di(2-ethylhexyl) phthalate 176.62
    ethyl propionate 560.7
    nitromethane 1416.75
    1,2-diethoxyethane 821.47
    benzonitrile 377.83
    trioctyl phosphate 150.71
    1-bromopropane 535.92
    gamma-valerolactone 2234.25
    n-decanol 209.19
    triethyl phosphate 148.27
    4-methyl-2-pentanol 738.34
    propionitrile 808.41
    vinylene carbonate 494.59
    1,1,2-trichlorotrifluoroethane 1063.0
    DMS 302.06
    cumene 118.79
    2-octanol 274.39
    2-hexanone 1107.8
    octyl acetate 237.56
    limonene 202.58
    1,2-dimethoxyethane 1835.47
    ethyl orthosilicate 164.87
    tributyl phosphate 184.4
    diacetone alcohol 1402.41
    N,N-dimethylaniline 272.09
    acrylonitrile 740.25
    aniline 500.21
    1,3-propanediol 1819.44
    bromobenzene 242.86
    dibromomethane 456.79
    1,1,2,2-tetrachloroethane 1003.61
    2-methyl-cyclohexyl acetate 351.35
    tetrabutyl urea 241.91
    diisobutyl methanol 286.94
    2-phenylethanol 469.07
    styrene 162.47
    dioctyl adipate 250.14
    dimethyl sulfate 389.99
    ethyl butyrate 454.44
    methyl lactate 465.32
    butyl lactate 382.19
    diethyl carbonate 206.56
    propanediol butyl ether 754.97
    triethyl orthoformate 282.26
    p-tert-butyltoluene 104.49
    methyl 4-tert-butylbenzoate 308.06
    morpholine 2781.89
    tert-butylamine 1694.18
    n-dodecanol 144.61
    dimethoxymethane 1498.74
    ethylene carbonate 487.31
    cyrene 437.67
    2-ethoxyethyl acetate 493.62
    2-ethylhexyl acetate 578.39
    1,2,4-trichlorobenzene 299.57
    4-methylpyridine 811.55
    dibutyl ether 363.27
    2,6-dimethyl-4-heptanol 286.94
    DEF 1508.06
    dimethyl isosorbide 831.98
    tetrachloroethylene 628.55
    eugenol 343.18
    triacetin 346.82
    span 80 524.46
    1,4-butanediol 655.67
    1,1-dichloroethane 718.69
    2-methyl-1-pentanol 1162.27
    methyl formate 668.81
    2-methyl-1-butanol 1559.76
    n-decane 23.63
    butyronitrile 1076.43
    3,7-dimethyl-1-octanol 368.65
    1-chlorooctane 150.34
    1-chlorotetradecane 44.54
    n-nonane 24.29
    undecane 16.53
    tert-butylcyclohexane 85.48
    cyclooctane 36.76
    cyclopentanol 1810.79
    tetrahydropyran 2155.44
    tert-amyl methyl ether 1042.46
    2,5,8-trioxanonane 781.06
    1-hexene 943.79
    2-isopropoxyethanol 1024.9
    2,2,2-trifluoroethanol 246.85
    methyl butyrate 838.92

    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