Ethyl Nonanoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    123-29-5

    Molecular formula
    C11H22O2

    SMILES
    CCCCCCCCC(=O)OCC

    Retention indicies (RI)

    • Carbowax: 1530.0

  • Odor profile

    Fruity 92.16%
    Winey 70.37%
    Fatty 69.98%
    Waxy 68.72%
    Sweet 65.94%
    Oily 64.96%
    Cognac 58.12%
    Green 54.46%
    Floral 49.43%
    Pineapple 46.01%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • -44.5 °C

    Boiling point

    • 119.00 °C. @ 23.00 mm Hg

    Flash point est.
    89.15 ˚C

    Solubility expt.

    • 0.0295 mg/mL at 25 °C
    • Soluble in propylene glycol, insoluble in water
    • 1ml in 10ml 70% ethanol (in ethanol)

  • Synonyms

    • ETHYL NONANOATE
    • 123-29-5
    • Ethyl pelargonate
    • Nonanoic acid, ethyl ester
    • Wine ether
    • Ethyl nonylate
    • Nonanoic acid ethyl ester
    • Ethyl n-nonanoate
    • FEMA No. 2447
    • Ethyl nonanoate (natural)
    • Pelargonic Acid Ethyl Ester
    • NSC 8901
    • EINECS 204-615-7
    • UNII-KSH683S98J
    • BRN 1759169
    • KSH683S98J
    • DTXSID1047651
    • CHEBI:87501
    • AI3-13187
    • NSC-8901
    • Nonanoic acid-ethyl ester
    • MFCD00009570
    • ETHYL NONANOATE [FCC]
    • ETHYL NONANOATE [FHFI]
    • ETHYL PELARGONATE [MI]
    • DTXCID9027651
    • 4-02-00-01019 (Beilstein Handbook Reference)
    • ethylnonanoate
    • Ethyl nonanoate, 97%
    • Nonylic Acid Ethyl Ester
    • SCHEMBL5533
    • WLN: 8VO2
    • CHEMBL3187336
    • ETHYL PELARGONATE [INCI]
    • FEMA 2447
    • NSC8901
    • Ethyl nonanoate, analytical standard
    • Tox21_302588
    • LMFA07010878
    • Ethyl nonanoate, natural, 98%, FG
    • AKOS009158148
    • Ethyl nonanoate, >=98%, FCC, FG
    • DS-6367
    • NCGC00256839-01
    • CAS-123-29-5
    • HY-129623
    • CS-0107002
    • N0289
    • NS00012448
    • D70268
    • Q9796963
    • 204-615-7

  • Applications

    Ethyl nonanoate (CAS 123-29-5) is a naturally occurring fruity ester found in wine, bananas, apples and other fruits, widely used as a flavoring agent in food, beverages, confectionery and soft drinks; as a fragrance component in perfumes, cosmetics and deodorants; as a low-volatility solvent for printing inks, coatings and cleaners; as a heat-transfer fluid and bioplasticizer; as an intermediate for long-chain ester synthesis employed in lubricating oils, anti-rust additives and biodegradable lubricants; and it is also being studied as a diesel fuel additive to improve biodegradability and as a flavor modifier in the tobacco industry.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9566.14
    methanol 10270.87
    isopropanol 8679.79
    water 0.11
    ethyl acetate 8146.48
    n-propanol 7932.66
    acetone 15617.25
    n-butanol 6494.2
    acetonitrile 8541.19
    DMF 7699.06
    toluene 2748.28
    isobutanol 5790.22
    1,4-dioxane 7764.44
    methyl acetate 5440.42
    THF 10983.48
    2-butanone 8913.26
    n-pentanol 4606.35
    sec-butanol 6920.41
    n-hexane 2686.8
    ethylene glycol 490.46
    NMP 5055.46
    cyclohexane 2697.25
    DMSO 9467.33
    n-butyl acetate 6406.37
    n-octanol 1528.67
    chloroform 11829.48
    n-propyl acetate 5463.07
    acetic acid 4598.66
    dichloromethane 11668.11
    cyclohexanone 11826.65
    propylene glycol 1059.47
    isopropyl acetate 4946.47
    DMAc 4084.46
    2-ethoxyethanol 3837.76
    isopentanol 5521.92
    n-heptane 716.3
    ethyl formate 3581.81
    1,2-dichloroethane 8301.0
    n-hexanol 3895.17
    2-methoxyethanol 6057.79
    isobutyl acetate 2719.77
    tetrachloromethane 1908.29
    n-pentyl acetate 3200.64
    transcutol 9967.48
    n-heptanol 1298.79
    ethylbenzene 1438.0
    MIBK 3648.17
    2-propoxyethanol 4255.35
    tert-butanol 8810.85
    MTBE 9024.76
    2-butoxyethanol 2132.73
    propionic acid 3998.24
    o-xylene 1328.05
    formic acid 729.2
    diethyl ether 11057.18
    m-xylene 1499.37
    p-xylene 1837.27
    chlorobenzene 3575.3
    dimethyl carbonate 859.55
    n-octane 244.21
    formamide 1294.36
    cyclopentanone 8898.76
    2-pentanone 8348.09
    anisole 2254.24
    cyclopentyl methyl ether 6724.15
    gamma-butyrolactone 7445.06
    1-methoxy-2-propanol 4688.17
    pyridine 7866.0
    3-pentanone 4616.29
    furfural 4377.35
    n-dodecane 131.13
    diethylene glycol 1860.64
    diisopropyl ether 2280.2
    tert-amyl alcohol 6643.6
    acetylacetone 5379.0
    n-hexadecane 158.98
    acetophenone 1961.46
    methyl propionate 4293.23
    isopentyl acetate 4618.13
    trichloroethylene 11279.33
    n-nonanol 1227.46
    cyclohexanol 6275.27
    benzyl alcohol 1799.66
    2-ethylhexanol 2381.27
    isooctanol 1124.92
    dipropyl ether 3820.3
    1,2-dichlorobenzene 2682.75
    ethyl lactate 1093.21
    propylene carbonate 3366.26
    n-methylformamide 3799.48
    2-pentanol 4960.6
    n-pentane 1382.27
    1-propoxy-2-propanol 3798.49
    1-methoxy-2-propyl acetate 3305.03
    2-(2-methoxypropoxy) propanol 1606.69
    mesitylene 980.86
    ε-caprolactone 7350.84
    p-cymene 747.04
    epichlorohydrin 8103.86
    1,1,1-trichloroethane 7651.38
    2-aminoethanol 1783.99
    morpholine-4-carbaldehyde 4485.21
    sulfolane 7268.27
    2,2,4-trimethylpentane 404.82
    2-methyltetrahydrofuran 10834.37
    n-hexyl acetate 3741.08
    isooctane 317.69
    2-(2-butoxyethoxy)ethanol 2491.93
    sec-butyl acetate 3172.94
    tert-butyl acetate 4292.27
    decalin 761.77
    glycerin 1015.74
    diglyme 4647.67
    acrylic acid 2377.1
    isopropyl myristate 1036.49
    n-butyric acid 7422.33
    acetyl acetate 3019.45
    di(2-ethylhexyl) phthalate 767.3
    ethyl propionate 3847.41
    nitromethane 7656.05
    1,2-diethoxyethane 5204.55
    benzonitrile 3221.32
    trioctyl phosphate 596.78
    1-bromopropane 7472.74
    gamma-valerolactone 8771.34
    n-decanol 773.76
    triethyl phosphate 886.52
    4-methyl-2-pentanol 2031.8
    propionitrile 6017.21
    vinylene carbonate 2818.45
    1,1,2-trichlorotrifluoroethane 4361.72
    DMS 1767.57
    cumene 834.15
    2-octanol 1163.69
    2-hexanone 5648.33
    octyl acetate 1278.55
    limonene 1543.81
    1,2-dimethoxyethane 7701.54
    ethyl orthosilicate 939.63
    tributyl phosphate 866.71
    diacetone alcohol 3398.78
    N,N-dimethylaniline 1340.95
    acrylonitrile 5646.9
    aniline 3196.6
    1,3-propanediol 2913.45
    bromobenzene 4157.86
    dibromomethane 9067.33
    1,1,2,2-tetrachloroethane 9511.94
    2-methyl-cyclohexyl acetate 1860.93
    tetrabutyl urea 1082.74
    diisobutyl methanol 1152.96
    2-phenylethanol 1734.08
    styrene 2133.76
    dioctyl adipate 1419.82
    dimethyl sulfate 1320.19
    ethyl butyrate 3335.88
    methyl lactate 1159.29
    butyl lactate 1775.45
    diethyl carbonate 1569.12
    propanediol butyl ether 1886.32
    triethyl orthoformate 1789.77
    p-tert-butyltoluene 697.87
    methyl 4-tert-butylbenzoate 1352.33
    morpholine 11726.24
    tert-butylamine 5879.73
    n-dodecanol 542.77
    dimethoxymethane 4002.27
    ethylene carbonate 2874.59
    cyrene 1173.6
    2-ethoxyethyl acetate 2979.39
    2-ethylhexyl acetate 3378.42
    1,2,4-trichlorobenzene 2837.09
    4-methylpyridine 7379.93
    dibutyl ether 3479.7
    2,6-dimethyl-4-heptanol 1152.96
    DEF 7000.41
    dimethyl isosorbide 2523.36
    tetrachloroethylene 6244.4
    eugenol 1266.73
    triacetin 2078.01
    span 80 1730.93
    1,4-butanediol 1111.45
    1,1-dichloroethane 9885.07
    2-methyl-1-pentanol 3702.16
    methyl formate 2158.43
    2-methyl-1-butanol 5046.66
    n-decane 292.01
    butyronitrile 7499.35
    3,7-dimethyl-1-octanol 1546.51
    1-chlorooctane 1310.25
    1-chlorotetradecane 374.95
    n-nonane 326.85
    undecane 184.84
    tert-butylcyclohexane 640.77
    cyclooctane 582.0
    cyclopentanol 5930.68
    tetrahydropyran 14449.08
    tert-amyl methyl ether 4938.83
    2,5,8-trioxanonane 2584.81
    1-hexene 6999.8
    2-isopropoxyethanol 2887.06
    2,2,2-trifluoroethanol 874.27
    methyl butyrate 6053.66

    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
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Nigella sativa seed Nigella sativa L., fam. Ranunculaceae 0.01%
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.05%
Mandarin leaf (Petitgrain mandarin.) (Israel) 1 Citrus reticulata Blanco, cultivar Balady, fam. Rutaceae 0.01%
Yarrow (Cuba) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 2.6%