Ethyl octanoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    106-32-1

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCCC(=O)OCC

    Retention indicies (RI)

    • DB5: 1197.5
    • Carbowax: 1429.71

  • Odor profile

    Fruity 95.0%
    Sweet 69.6%
    Green 69.58%
    Waxy 68.92%
    Winey 68.57%
    Fatty 63.44%
    Oily 55.33%
    Pineapple 54.8%
    Cognac 53.29%
    Floral 48.25%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • -43.1 °C

    Boiling point

    • 206.00 to 208.00 °C. @ 760.00 mm Hg

    Flash point est.
    77.4 ˚C

    Solubility expt.

    • 0.0701 mg/mL at 25 °C
    • Soluble in most fixed oils, slightly soluble in propylene glycol, insoluble in water and glycerol
    • 1ml in 4ml 70% ethanol (in ethanol)

  • Synonyms

    • ETHYL OCTANOATE
    • Ethyl caprylate
    • 106-32-1
    • Ethyl n-octanoate
    • Octanoic acid, ethyl ester
    • Caprylic acid ethyl ester
    • Ethyl octoate
    • Ethyl octylate
    • octanoic acid ethyl ester
    • Ethyl octanoate (natural)
    • FEMA No. 2449
    • NSC 8898
    • n-Caprylic acid ethyl ester
    • EINECS 203-385-5
    • MFCD00009552
    • n-Octanoic Acid Ethyl Ester
    • UNII-81C5MOP582
    • BRN 1754470
    • DTXSID8051542
    • AI3-01977
    • NSC-8898
    • Octanoic acid-ethyl ester
    • Ethyl ester of octanoic acid
    • ETHYL CAPRYLATE [MI]
    • ETHYL OCTANOATE [FCC]
    • ETHYL OCTANOATE [FHFI]
    • DTXCID9030094
    • CHEBI:87426
    • WE(2:0/8:0)
    • 81C5MOP582
    • Caprylic acid ethylester
    • ethyloctanoate
    • Ethyl ester octanoic acid
    • SCHEMBL454
    • WLN: 7VO2
    • CHEMBL4633100
    • FEMA 2449
    • NSC8898
    • Tox21_303730
    • LMFA07010447
    • AKOS000120258
    • Ethyl octanoate, >=98%, FCC, FG
    • CS-W016021
    • HY-W015305
    • NCGC00357039-01
    • CAS-106-32-1
    • FE139404
    • LS-13892
    • Ethyl octanoate, ReagentPlus(R), >=99%
    • DB-040685
    • Octanoic acid ethyl ester (ethyl octanoate)
    • NS00012443
    • O0030
    • EN300-21302
    • Ethyl octanoate, analytical reference material
    • Ethyl octanoate, natural, >=98%, FCC, FG
    • Ethyl octanoate, Vetec(TM) reagent grade, 98%
    • A801420
    • Q3348790
    • 203-385-5

  • Applications

    Ethyl octanoate, also known as ethyl caprylate (CAS 106-32-1), is a medium-chain ester with a sweet, ripe-pineapple aroma widely employed in flavour and fragrance science: it lends juicy tropical notes to soft drinks, wines, candies, baked goods and yogurts while enhancing creaminess and mouth-feel in dairy products; in fermented beverage industries it acts both as an aroma adjuster and a crucial marker for monitoring fermentation and judging the sensory quality of wines, beers and liqueurs; in cosmetics and personal care it contributes a sunny, exotic facet to perfumes, shampoos, lotions and lipsticks and, thanks to its volatility, serves as a carrier that evens out evaporation and prolongs scent persistence; furthermore, because of its biodegradable medium-chain structure, the compound is being explored as a bio-additive that improves lubricity and lowers emissions in biodiesel, as a mild solvent for inks, coatings and pharmaceuticals, and as an analytical standard in beverage and food quality-control laboratories.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14560.1
    methanol 17046.18
    isopropanol 12546.61
    water 0.3
    ethyl acetate 10607.65
    n-propanol 10806.46
    acetone 23575.55
    n-butanol 8965.08
    acetonitrile 13174.27
    DMF 12074.75
    toluene 3301.62
    isobutanol 7951.27
    1,4-dioxane 9772.44
    methyl acetate 7298.85
    THF 13330.31
    2-butanone 11549.87
    n-pentanol 5734.19
    sec-butanol 9303.12
    n-hexane 2856.25
    ethylene glycol 966.63
    NMP 7098.71
    cyclohexane 2736.68
    DMSO 14172.07
    n-butyl acetate 7692.71
    n-octanol 1909.93
    chloroform 14398.14
    n-propyl acetate 6310.98
    acetic acid 8135.35
    dichloromethane 14000.02
    cyclohexanone 14335.35
    propylene glycol 1787.76
    isopropyl acetate 6117.56
    DMAc 5532.74
    2-ethoxyethanol 4835.66
    isopentanol 7324.4
    n-heptane 746.57
    ethyl formate 4909.07
    1,2-dichloroethane 10088.99
    n-hexanol 4985.68
    2-methoxyethanol 8445.07
    isobutyl acetate 3013.78
    tetrachloromethane 2268.45
    n-pentyl acetate 3689.74
    transcutol 13009.53
    n-heptanol 1588.1
    ethylbenzene 1677.41
    MIBK 4355.59
    2-propoxyethanol 5549.31
    tert-butanol 11913.38
    MTBE 10843.41
    2-butoxyethanol 2561.84
    propionic acid 6091.53
    o-xylene 1538.34
    formic acid 1513.22
    diethyl ether 12958.51
    m-xylene 1807.0
    p-xylene 2111.2
    chlorobenzene 4428.8
    dimethyl carbonate 1234.53
    n-octane 270.85
    formamide 2476.14
    cyclopentanone 11221.42
    2-pentanone 10823.85
    anisole 2707.48
    cyclopentyl methyl ether 7846.04
    gamma-butyrolactone 9916.65
    1-methoxy-2-propanol 6330.8
    pyridine 9813.87
    3-pentanone 5793.67
    furfural 5778.33
    n-dodecane 155.54
    diethylene glycol 2644.47
    diisopropyl ether 2597.99
    tert-amyl alcohol 8420.84
    acetylacetone 7285.76
    n-hexadecane 186.69
    acetophenone 2313.02
    methyl propionate 5610.21
    isopentyl acetate 5361.65
    trichloroethylene 14556.92
    n-nonanol 1511.32
    cyclohexanol 7799.84
    benzyl alcohol 2225.41
    2-ethylhexanol 2743.27
    isooctanol 1325.48
    dipropyl ether 4068.05
    1,2-dichlorobenzene 3140.94
    ethyl lactate 1305.73
    propylene carbonate 4344.07
    n-methylformamide 6170.97
    2-pentanol 6415.22
    n-pentane 1568.82
    1-propoxy-2-propanol 4636.3
    1-methoxy-2-propyl acetate 3860.49
    2-(2-methoxypropoxy) propanol 1953.77
    mesitylene 1118.5
    ε-caprolactone 8986.95
    p-cymene 827.43
    epichlorohydrin 10244.62
    1,1,1-trichloroethane 9152.01
    2-aminoethanol 2957.14
    morpholine-4-carbaldehyde 5980.88
    sulfolane 9700.89
    2,2,4-trimethylpentane 445.39
    2-methyltetrahydrofuran 12571.29
    n-hexyl acetate 4527.55
    isooctane 359.84
    2-(2-butoxyethoxy)ethanol 3153.26
    sec-butyl acetate 3486.42
    tert-butyl acetate 5018.91
    decalin 800.19
    glycerin 1704.63
    diglyme 5614.75
    acrylic acid 3856.27
    isopropyl myristate 1203.9
    n-butyric acid 10519.11
    acetyl acetate 3936.41
    di(2-ethylhexyl) phthalate 904.07
    ethyl propionate 4392.71
    nitromethane 12539.99
    1,2-diethoxyethane 6212.3
    benzonitrile 4139.29
    trioctyl phosphate 703.8
    1-bromopropane 8409.83
    gamma-valerolactone 10898.92
    n-decanol 964.96
    triethyl phosphate 956.61
    4-methyl-2-pentanol 2460.65
    propionitrile 8318.61
    vinylene carbonate 3748.82
    1,1,2-trichlorotrifluoroethane 5827.21
    DMS 2159.04
    cumene 934.61
    2-octanol 1416.94
    2-hexanone 6565.54
    octyl acetate 1517.16
    limonene 1705.59
    1,2-dimethoxyethane 9237.66
    ethyl orthosilicate 1019.74
    tributyl phosphate 1059.6
    diacetone alcohol 4224.34
    N,N-dimethylaniline 1550.09
    acrylonitrile 8343.7
    aniline 4141.85
    1,3-propanediol 4364.85
    bromobenzene 5028.32
    dibromomethane 10893.7
    1,1,2,2-tetrachloroethane 11873.39
    2-methyl-cyclohexyl acetate 2021.13
    tetrabutyl urea 1331.26
    diisobutyl methanol 1293.61
    2-phenylethanol 2136.19
    styrene 2539.08
    dioctyl adipate 1636.62
    dimethyl sulfate 1897.24
    ethyl butyrate 3641.39
    methyl lactate 1619.69
    butyl lactate 2175.95
    diethyl carbonate 1717.88
    propanediol butyl ether 2568.82
    triethyl orthoformate 1882.69
    p-tert-butyltoluene 785.18
    methyl 4-tert-butylbenzoate 1588.39
    morpholine 14523.34
    tert-butylamine 7607.28
    n-dodecanol 671.28
    dimethoxymethane 5356.05
    ethylene carbonate 3647.26
    cyrene 1372.38
    2-ethoxyethyl acetate 3536.71
    2-ethylhexyl acetate 3784.83
    1,2,4-trichlorobenzene 3328.62
    4-methylpyridine 9573.17
    dibutyl ether 3970.41
    2,6-dimethyl-4-heptanol 1293.61
    DEF 8967.44
    dimethyl isosorbide 2935.45
    tetrachloroethylene 7589.61
    eugenol 1541.84
    triacetin 2474.78
    span 80 2098.92
    1,4-butanediol 1580.1
    1,1-dichloroethane 12265.94
    2-methyl-1-pentanol 4523.45
    methyl formate 3607.55
    2-methyl-1-butanol 6594.41
    n-decane 323.71
    butyronitrile 10035.88
    3,7-dimethyl-1-octanol 1889.36
    1-chlorooctane 1499.94
    1-chlorotetradecane 434.82
    n-nonane 368.08
    undecane 214.08
    tert-butylcyclohexane 698.29
    cyclooctane 584.56
    cyclopentanol 7602.81
    tetrahydropyran 17124.06
    tert-amyl methyl ether 5711.75
    2,5,8-trioxanonane 3163.35
    1-hexene 7486.46
    2-isopropoxyethanol 3373.71
    2,2,2-trifluoroethanol 1499.13
    methyl butyrate 7065.88

    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
Clove bud (Malagasy) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.01%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Nigella sativa seed Nigella sativa L., fam. Ranunculaceae 0.07%
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.05%
Etrog, leaf Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.01%
Orange leaf, sweet (Israel) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.11%
Orange leaf, sweet (Israel) 1 Citrus sinensis (L.) Osbeck, cultivar Jaffa (Shamouti), fam. Rutaceae 0.01%
Orange leaf, sweet (Israel) 2 Citrus sinensis (L.) Osbeck, cultivar Ruby (Blood orange), fam. Rutaceae 0.06%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.42%
Artemisia judaica (Egypt) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.03%
Mandarin leaf (Petitgrain mandarin.) (Israel) 1 Citrus reticulata Blanco, cultivar Balady, fam. Rutaceae 0.01%
Mandarin leaf (Petitgrain mandarin.) (Israel) 2 Citrus reticulata Blanco, cultivar Yussuf Effendy, fam. Rutaceae 0.01%
Mandarin leaf (Petitgrain mandarin.) (Israel) 4 Citrus reticulata Blanco, cultivar Maya, fam. Rutaceae 0.02%
Mandarin leaf (Petitgrain mandarin.) (Israel) 6 Citrus reticulata Blanco, cultivar Michal, fam. Rutaceae 0.02%
Mandarin leaf (Petitgrain mandarin.) (Israel) 7 Citrus reticulata Blanco, cultivar Nectarine, fam. Rutaceae 0.04%
Pistacia lentiscus (Israel) 1b leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.18%
Pistacia lentiscus (Israel) 1a fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.01%
Orange, sweet (Japan) (oxygenated compounds) 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Fukuhara, fam. Rutaceae 0.01%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 2.24%
Mustard seed (China) 1 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.17%
False acacia flower (Black locust flower) 2 Robinia pseudoacacia L. (False acacia) (Black locust), fam. Leguminosae 1.2%
Buddleia asiatica (China) Buddleia asiatica Lour., fam. Loganiaceae 6.66%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.03%
Elaeagnus angustifolia flower absolute (China) Elaeagnus angustifolia L., fam. Elaeagnaceae 0.12%
Chaenomeles speciosa (Flowering Quince) Chaenameles speciosa Nakai, fam. Rosaceae 5.62%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 0.1%
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.03%
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 0.43%
Cyphomandra betacea fruit Cyphomandra betacea Sendtn., fam. Solanaceae (tree tomato, tamarillo) 0.01%
Astrocarium vulgare fruit Astrocarium vulgare Mart., fam. Arecaceae 4.1%
Yarrow (Cuba) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 1.5%
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 3.5%
Mango (India) 1a cv. Langra 90063-86-8 Mangifera indica L. cv. Langra, fam. Anacardiaceae 3.7%
Mango (India) 1c cv. Desi 90063-86-8 Mangifera indica L. cv. Desi, fam. Anacardiaceae 0.6%
Genipap fruit (Brazil) Genipa americana L., fam. Rubiaceae 3.2%
Guava fruit (Cuba) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.3%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 1.44%
Alstonia scholaris Alstonia scholaris (L.) R.Br., fam. Apocynaceae 0.3%
Baga fruit Annona glabra L., fam. Annonaceae 0.01%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 0.2%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 4.0%
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 0.21%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.01%
Douglas fir (Indiana, USA) Pseudotsuga menziesii 0.04%