Nonanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    68039-29-2

    Molecular formula
    C19H34O2

    SMILES
    CCCCCCCCC(=O)OC/C=C(\C)/CCC=C(C)C

  • Odor profile

    Fragrance
    Floral 81.33%
    Rose 77.52%
    Fruity 62.37%
    Waxy 61.83%
    Green 50.68%
    Oily 44.25%
    Sweet 42.33%
    Winey 41.32%
    Geranium 40.78%
    Citrus 34.33%

     

    Flavor
    Waxy 51.62%
    Floral 49.82%
    Fruity 46.08%
    Rose 45.73%
    Oily 37.37%
    Green 35.37%
    Sweet 35.34%
    Geranium 32.11%
    Herbal 30.54%
    Tropical 26.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    7.96 (neutral)

    Molecular weight
    294.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    338°C

    Flash point

    • 150.76 ˚C est.

  • Synonyms

    • Geranyl nonanoate
    • 68039-29-2
    • GERANYL PELARGONATE
    • EINECS 268-247-9
    • Nonanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
    • [(2E)-3,7-dimethylocta-2,6-dienyl] nonanoate
    • Nonanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
    • Nonanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
    • DTXSID90887105
    • (E)-3,7-Dimethyl-2,6-octadienyl nonanoate
    • WE(8:2(2E,6E)(3Me,7Me)/9:0)
    • (E)-Geranyl nonan-1-oate
    • SCHEMBL3505617
    • DTXCID20910218
    • WVOMTKJRDMPOCF-OBGWFSINSA-N
    • A953Q6GU63
    • LMFA07010621
    • NS00012502
    • (2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL NONANOATE

  • Applications

    In the flavor and fragrance industry, Nonanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester (CAS 68039-29-2)—the citronellyl ester of nonanoic acid—is used as a citrus–floral–fruity odorant, a scent modifier to boost diffusion and longevity in fine fragrances, soaps, and personal care; it also serves as a fragrance carrier/softener to smooth harsh notes in blends, an intermediate for synthesizing other aroma esters, and a household fragrance additive (detergents, air care), featuring medium volatility and broad solvency compatibility that enhance sensory profile and formulation stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1268.31
    methanol 849.73
    isopropanol 1071.92
    water 0.03
    ethyl acetate 2363.17
    n-propanol 1120.23
    acetone 1598.39
    n-butanol 1213.67
    acetonitrile 615.58
    DMF 884.33
    toluene 872.34
    isobutanol 867.39
    1,4-dioxane 2074.5
    methyl acetate 1051.04
    THF 3146.84
    2-butanone 1720.04
    n-pentanol 932.33
    sec-butanol 1258.63
    n-hexane 333.72
    ethylene glycol 20.74
    NMP 1163.75
    cyclohexane 735.27
    DMSO 1030.0
    n-butyl acetate 1530.97
    n-octanol 384.8
    chloroform 2963.96
    n-propyl acetate 1572.87
    acetic acid 533.41
    dichloromethane 2895.5
    cyclohexanone 2685.63
    propylene glycol 100.77
    isopropyl acetate 1627.33
    DMAc 1384.54
    2-ethoxyethanol 989.42
    isopentanol 1186.78
    n-heptane 155.67
    ethyl formate 589.03
    1,2-dichloroethane 2043.92
    n-hexanol 787.62
    2-methoxyethanol 1073.35
    isobutyl acetate 938.31
    tetrachloromethane 468.24
    n-pentyl acetate 1192.71
    transcutol 4276.9
    n-heptanol 409.97
    ethylbenzene 528.98
    MIBK 1187.67
    2-propoxyethanol 1082.45
    tert-butanol 1447.0
    MTBE 2366.37
    2-butoxyethanol 741.16
    propionic acid 482.41
    o-xylene 544.28
    formic acid 72.21
    diethyl ether 2618.48
    m-xylene 577.29
    p-xylene 689.66
    chlorobenzene 948.83
    dimethyl carbonate 211.77
    n-octane 54.67
    formamide 146.29
    cyclopentanone 1760.51
    2-pentanone 1829.98
    anisole 849.62
    cyclopentyl methyl ether 1859.8
    gamma-butyrolactone 1425.7
    1-methoxy-2-propanol 994.61
    pyridine 1666.6
    3-pentanone 1205.08
    furfural 1039.74
    n-dodecane 31.64
    diethylene glycol 335.42
    diisopropyl ether 733.88
    tert-amyl alcohol 1425.38
    acetylacetone 1416.75
    n-hexadecane 38.52
    acetophenone 789.04
    methyl propionate 1016.73
    isopentyl acetate 1523.19
    trichloroethylene 2998.94
    n-nonanol 367.11
    cyclohexanol 1302.91
    benzyl alcohol 539.16
    2-ethylhexanol 641.85
    isooctanol 399.22
    dipropyl ether 1055.82
    1,2-dichlorobenzene 872.28
    ethyl lactate 357.33
    propylene carbonate 929.76
    n-methylformamide 354.61
    2-pentanol 1036.62
    n-pentane 214.51
    1-propoxy-2-propanol 1025.76
    1-methoxy-2-propyl acetate 1211.42
    2-(2-methoxypropoxy) propanol 721.86
    mesitylene 381.31
    ε-caprolactone 2052.36
    p-cymene 307.15
    epichlorohydrin 2281.15
    1,1,1-trichloroethane 1927.21
    2-aminoethanol 143.68
    morpholine-4-carbaldehyde 1303.82
    sulfolane 1485.42
    2,2,4-trimethylpentane 133.26
    2-methyltetrahydrofuran 3149.3
    n-hexyl acetate 1370.57
    isooctane 88.25
    2-(2-butoxyethoxy)ethanol 1049.6
    sec-butyl acetate 1264.46
    tert-butyl acetate 1573.68
    decalin 243.11
    glycerin 114.28
    diglyme 2040.55
    acrylic acid 237.14
    isopropyl myristate 412.15
    n-butyric acid 1423.52
    acetyl acetate 888.19
    di(2-ethylhexyl) phthalate 320.1
    ethyl propionate 1263.71
    nitromethane 915.64
    1,2-diethoxyethane 2047.29
    benzonitrile 696.69
    trioctyl phosphate 226.38
    1-bromopropane 1616.71
    gamma-valerolactone 2288.39
    n-decanol 235.21
    triethyl phosphate 385.52
    4-methyl-2-pentanol 589.47
    propionitrile 719.88
    vinylene carbonate 677.37
    1,1,2-trichlorotrifluoroethane 928.36
    DMS 597.36
    cumene 351.54
    2-octanol 351.29
    2-hexanone 1411.61
    octyl acetate 496.78
    limonene 626.98
    1,2-dimethoxyethane 1985.58
    ethyl orthosilicate 444.77
    tributyl phosphate 314.41
    diacetone alcohol 1155.32
    N,N-dimethylaniline 569.85
    acrylonitrile 525.47
    aniline 742.14
    1,3-propanediol 398.7
    bromobenzene 1095.36
    dibromomethane 2074.08
    1,1,2,2-tetrachloroethane 2789.22
    2-methyl-cyclohexyl acetate 854.37
    tetrabutyl urea 420.41
    diisobutyl methanol 379.28
    2-phenylethanol 570.03
    styrene 646.9
    dioctyl adipate 587.62
    dimethyl sulfate 288.45
    ethyl butyrate 1221.16
    methyl lactate 254.51
    butyl lactate 622.49
    diethyl carbonate 577.67
    propanediol butyl ether 509.72
    triethyl orthoformate 797.41
    p-tert-butyltoluene 284.74
    methyl 4-tert-butylbenzoate 667.08
    morpholine 2941.97
    tert-butylamine 1020.34
    n-dodecanol 168.66
    dimethoxymethane 977.97
    ethylene carbonate 723.81
    cyrene 509.76
    2-ethoxyethyl acetate 1306.42
    2-ethylhexyl acetate 1235.16
    1,2,4-trichlorobenzene 978.78
    4-methylpyridine 1831.46
    dibutyl ether 1090.87
    2,6-dimethyl-4-heptanol 379.28
    DEF 1687.52
    dimethyl isosorbide 1226.06
    tetrachloroethylene 1669.89
    eugenol 547.61
    triacetin 945.51
    span 80 675.7
    1,4-butanediol 144.54
    1,1-dichloroethane 2096.95
    2-methyl-1-pentanol 977.06
    methyl formate 204.93
    2-methyl-1-butanol 1079.59
    n-decane 71.01
    butyronitrile 1099.96
    3,7-dimethyl-1-octanol 473.82
    1-chlorooctane 393.0
    1-chlorotetradecane 119.74
    n-nonane 71.46
    undecane 43.98
    tert-butylcyclohexane 188.36
    cyclooctane 159.06
    cyclopentanol 862.87
    tetrahydropyran 4018.91
    tert-amyl methyl ether 1595.21
    2,5,8-trioxanonane 1178.42
    1-hexene 1094.38
    2-isopropoxyethanol 849.79
    2,2,2-trifluoroethanol 110.39
    methyl butyrate 1654.07

    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
Geranium (China, Yunnan) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.04%