Octyl pelargonate

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  • Identifiers

    CAS number
    5303-26-4

    Molecular formula
    C17H34O2

    SMILES
    CCCCCCCCC(=O)OCCCCCCCC

  • Odor profile

    Fragrance
    Oily 74.65%
    Fruity 72.05%
    Fatty 66.68%
    Waxy 58.33%
    Winey 56.4%
    Floral 55.89%
    Cognac 52.02%
    Sweet 45.55%
    Rose 45.49%
    Orange 38.68%

     

    Flavor
    Waxy 72.84%
    Oily 53.58%
    Fruity 51.92%
    Soapy 50.65%
    Sweet 50.32%
    Fatty 50.0%
    Coconut 42.59%
    Floral 39.55%
    Creamy 39.33%
    Mild 37.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.1

    pKa est.
    7.18 (neutral)

    Molecular weight
    270.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 141.38 ˚C est.

  • Synonyms

    • Octyl nonanoate
    • Octyl pelargonate
    • 5303-26-4
    • Nonanoic acid, octyl ester
    • 04S3SB2FEX
    • EINECS 226-151-4
    • DTXSID40201074
    • Octyl nonanoate #
    • UNII-04S3SB2FEX
    • SCHEMBL1274588
    • DTXCID40123565
    • NS00022302
    • Q63395883
    • 226-151-4

  • Applications

    Octyl pelargonate (CAS 5303-26-4) is used primarily as an emollient and solvent in cosmetics and personal care products, providing slip in lotions and creams and serving as a carrier for fragrance ingredients in perfumery. It is also employed as a plasticizer and processing aid in polymers and coatings, improving flexibility and processing behavior. In coatings, inks, and cleaning formulations, it acts as a solvent or diluent; in chemical manufacturing it can serve as an intermediate or specialty ester. These applications are typically explored within formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2732.72
    methanol 2286.72
    isopropanol 3555.93
    water 0.06
    ethyl acetate 8452.22
    n-propanol 3162.21
    acetone 8880.41
    n-butanol 3311.58
    acetonitrile 3435.58
    DMF 6798.28
    toluene 2719.2
    isobutanol 3003.62
    1,4-dioxane 5781.98
    methyl acetate 4711.45
    THF 10050.36
    2-butanone 7420.11
    n-pentanol 2128.33
    sec-butanol 3439.98
    n-hexane 1616.99
    ethylene glycol 102.79
    NMP 7228.57
    cyclohexane 3744.17
    DMSO 7006.17
    n-butyl acetate 7046.52
    n-octanol 1346.22
    chloroform 9849.61
    n-propyl acetate 7226.4
    acetic acid 2175.1
    dichloromethane 10805.4
    cyclohexanone 14675.75
    propylene glycol 336.57
    isopropyl acetate 6302.46
    DMAc 5951.69
    2-ethoxyethanol 2554.33
    isopentanol 3649.55
    n-heptane 890.28
    ethyl formate 3035.88
    1,2-dichloroethane 9560.68
    n-hexanol 1942.37
    2-methoxyethanol 3540.32
    isobutyl acetate 3908.37
    tetrachloromethane 2487.24
    n-pentyl acetate 5773.71
    transcutol 9504.13
    n-heptanol 1257.71
    ethylbenzene 1621.18
    MIBK 5147.96
    2-propoxyethanol 2874.07
    tert-butanol 4762.74
    MTBE 7528.22
    2-butoxyethanol 2393.4
    propionic acid 2524.23
    o-xylene 1882.88
    formic acid 281.79
    diethyl ether 7676.94
    m-xylene 1809.26
    p-xylene 2478.18
    chlorobenzene 4023.42
    dimethyl carbonate 1125.76
    n-octane 321.42
    formamide 737.64
    cyclopentanone 11079.36
    2-pentanone 8269.22
    anisole 2622.68
    cyclopentyl methyl ether 7465.04
    gamma-butyrolactone 9015.14
    1-methoxy-2-propanol 3535.03
    pyridine 7118.37
    3-pentanone 5410.79
    furfural 5637.25
    n-dodecane 142.68
    diethylene glycol 977.15
    diisopropyl ether 2640.79
    tert-amyl alcohol 4231.89
    acetylacetone 6571.85
    n-hexadecane 182.74
    acetophenone 2858.17
    methyl propionate 4707.39
    isopentyl acetate 6130.79
    trichloroethylene 13436.47
    n-nonanol 1180.9
    cyclohexanol 5409.3
    benzyl alcohol 1567.04
    2-ethylhexanol 1987.62
    isooctanol 1281.35
    dipropyl ether 4424.45
    1,2-dichlorobenzene 3843.22
    ethyl lactate 1412.21
    propylene carbonate 4871.11
    n-methylformamide 2685.48
    2-pentanol 3186.31
    n-pentane 1011.32
    1-propoxy-2-propanol 3291.28
    1-methoxy-2-propyl acetate 4344.82
    2-(2-methoxypropoxy) propanol 1644.32
    mesitylene 1292.16
    ε-caprolactone 9984.48
    p-cymene 1082.0
    epichlorohydrin 9047.24
    1,1,1-trichloroethane 9419.73
    2-aminoethanol 547.07
    morpholine-4-carbaldehyde 5619.89
    sulfolane 9865.54
    2,2,4-trimethylpentane 470.08
    2-methyltetrahydrofuran 10366.94
    n-hexyl acetate 5559.77
    isooctane 336.64
    2-(2-butoxyethoxy)ethanol 2591.11
    sec-butyl acetate 4993.0
    tert-butyl acetate 6458.71
    decalin 961.49
    glycerin 397.6
    diglyme 6048.76
    acrylic acid 1347.51
    isopropyl myristate 1535.55
    n-butyric acid 6252.59
    acetyl acetate 3613.59
    di(2-ethylhexyl) phthalate 922.03
    ethyl propionate 5825.05
    nitromethane 5350.43
    1,2-diethoxyethane 6029.9
    benzonitrile 3148.58
    trioctyl phosphate 780.11
    1-bromopropane 6839.97
    gamma-valerolactone 11461.72
    n-decanol 719.29
    triethyl phosphate 1486.54
    4-methyl-2-pentanol 1774.81
    propionitrile 3754.41
    vinylene carbonate 3708.7
    1,1,2-trichlorotrifluoroethane 4587.27
    DMS 2576.5
    cumene 1055.72
    2-octanol 1244.96
    2-hexanone 5588.78
    octyl acetate 1814.38
    limonene 2313.1
    1,2-dimethoxyethane 6573.12
    ethyl orthosilicate 1560.06
    tributyl phosphate 1174.18
    diacetone alcohol 4352.26
    N,N-dimethylaniline 1785.78
    acrylonitrile 3343.87
    aniline 2598.38
    1,3-propanediol 1382.92
    bromobenzene 4982.38
    dibromomethane 8099.52
    1,1,2,2-tetrachloroethane 12034.38
    2-methyl-cyclohexyl acetate 2914.73
    tetrabutyl urea 1611.47
    diisobutyl methanol 1309.49
    2-phenylethanol 1549.26
    styrene 2255.34
    dioctyl adipate 2067.76
    dimethyl sulfate 1887.9
    ethyl butyrate 5466.3
    methyl lactate 1217.47
    butyl lactate 2691.07
    diethyl carbonate 2502.43
    propanediol butyl ether 1727.81
    triethyl orthoformate 3123.57
    p-tert-butyltoluene 993.09
    methyl 4-tert-butylbenzoate 2256.84
    morpholine 8917.24
    tert-butylamine 3302.28
    n-dodecanol 513.78
    dimethoxymethane 3743.32
    ethylene carbonate 3990.66
    cyrene 1343.38
    2-ethoxyethyl acetate 4781.85
    2-ethylhexyl acetate 4888.89
    1,2,4-trichlorobenzene 4029.15
    4-methylpyridine 7342.51
    dibutyl ether 4868.36
    2,6-dimethyl-4-heptanol 1309.49
    DEF 8717.49
    dimethyl isosorbide 3217.98
    tetrachloroethylene 7754.21
    eugenol 1668.91
    triacetin 3400.72
    span 80 1784.66
    1,4-butanediol 490.48
    1,1-dichloroethane 9304.12
    2-methyl-1-pentanol 2186.86
    methyl formate 1518.92
    2-methyl-1-butanol 3171.14
    n-decane 362.99
    butyronitrile 4864.45
    3,7-dimethyl-1-octanol 1537.47
    1-chlorooctane 1786.03
    1-chlorotetradecane 476.89
    n-nonane 403.23
    undecane 208.13
    tert-butylcyclohexane 697.4
    cyclooctane 823.65
    cyclopentanol 4667.42
    tetrahydropyran 12203.1
    tert-amyl methyl ether 4986.86
    2,5,8-trioxanonane 2829.31
    1-hexene 3692.13
    2-isopropoxyethanol 2314.37
    2,2,2-trifluoroethanol 691.12
    methyl butyrate 8269.34

    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