Octyl propionate

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  • Identifiers

    CAS number
    142-60-9

    Molecular formula
    C11H22O2

    SMILES
    CCCCCCCCOC(=O)CC

    Retention indicies (RI)

    • Carbowax: 1536.0

  • Odor profile

    Fruity 84.41%
    Green 71.16%
    Sweet 69.06%
    Waxy 67.42%
    Floral 66.88%
    Fatty 57.09%
    Winey 54.26%
    Oily 53.9%
    Rose 53.7%
    Herbal 53.47%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • -42.6 °C

    Boiling point

    • 228.00 °C. @ 760.00 mm Hg

    Flash point est.
    90.09 ˚C

    Solubility expt.

    • soluble in alcohol, propylene glycol; insoluble in water

  • Synonyms

    • Octyl propionate
    • Octyl propanoate
    • 142-60-9
    • PROPANOIC ACID, OCTYL ESTER
    • n-Octyl propanoate
    • n-Octyl propionate
    • Propionic acid, octyl ester
    • FEMA No. 2813
    • Octyl propionate (natural)
    • UNII-68Q7D900TQ
    • 68Q7D900TQ
    • EINECS 205-548-6
    • NSC-190978
    • AI3-33596
    • OCTYL PROPIONATE [FHFI]
    • DTXSID3059717
    • FEMA 2813
    • nOctyl propanoate
    • nOctyl propionate
    • Octyl propanoic acid
    • propionic acid octyl ester
    • Octyl propionate, >=99%
    • SCHEMBL1056018
    • 1039 Octyl propionate Natural
    • DTXCID3034610
    • CHEBI:179376
    • Propionic acid, octyl ester (8CI)
    • LMFA07010983
    • NSC190978
    • AKOS024390832
    • SFE(8:0/3:0)
    • DB-255871
    • NS00021652
    • Q10354581
    • 205-548-6

  • Applications

    Octyl propionate (CAS 142-60-9) is a C8 ester with a soft, fruity odor (pear–apple with tropical nuances) used widely in fragrance applications to build and round citrus, red-fruit, and tropical accords across fine fragrances, body sprays, shampoos, shower gels, creams, soaps, deodorants, laundry detergents/softeners, household cleaners, and air care; the C8 chain gives good substantivity on fabric and hair, and it blends well with other fruity esters, lactones, and aldehydes to add juiciness and naturalness; in flavors it is applied at trace (ppm) levels to impart pear–apple–pineapple notes in beverages, confectionery, baked goods, chewing gum, and dairy, smoothing acid sharpness and extending fruity top notes; it has moderate volatility, low water solubility but good solubility in ethanol and oils, and is generally stable though susceptible to hydrolysis under strong acid/alkali; usage should comply with IFRA for fragrances and food-flavor regulations (e.g., FEMA/GRAS, EU 1334/2008) and local laws; store tightly closed in a cool place, away from heat/light to minimize oxidation and hydrolysis.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12396.11
    methanol 13918.88
    isopropanol 11239.48
    water 0.18
    ethyl acetate 12498.6
    n-propanol 9954.29
    acetone 20883.13
    n-butanol 8314.07
    acetonitrile 13112.93
    DMF 9155.94
    toluene 3562.03
    isobutanol 7337.57
    1,4-dioxane 9927.91
    methyl acetate 7959.2
    THF 12024.56
    2-butanone 12342.1
    n-pentanol 5969.42
    sec-butanol 9070.36
    n-hexane 3189.52
    ethylene glycol 535.76
    NMP 5815.44
    cyclohexane 3047.86
    DMSO 11292.37
    n-butyl acetate 10109.25
    n-octanol 2257.34
    chloroform 15177.31
    n-propyl acetate 9152.25
    acetic acid 6004.77
    dichloromethane 15791.93
    cyclohexanone 14698.01
    propylene glycol 1153.65
    isopropyl acetate 7606.33
    DMAc 5600.86
    2-ethoxyethanol 5321.75
    isopentanol 7588.25
    n-heptane 955.78
    ethyl formate 5403.76
    1,2-dichloroethane 10881.33
    n-hexanol 5073.57
    2-methoxyethanol 7715.21
    isobutyl acetate 4559.12
    tetrachloromethane 2734.68
    n-pentyl acetate 5245.45
    transcutol 13728.71
    n-heptanol 1935.51
    ethylbenzene 2161.04
    MIBK 5267.11
    2-propoxyethanol 5914.57
    tert-butanol 11670.98
    MTBE 13143.08
    2-butoxyethanol 3225.08
    propionic acid 5036.04
    o-xylene 1832.13
    formic acid 953.78
    diethyl ether 14685.08
    m-xylene 1980.84
    p-xylene 2811.4
    chlorobenzene 4770.17
    dimethyl carbonate 1193.03
    n-octane 359.97
    formamide 1792.37
    cyclopentanone 10944.57
    2-pentanone 11277.5
    anisole 3439.7
    cyclopentyl methyl ether 7957.19
    gamma-butyrolactone 8963.08
    1-methoxy-2-propanol 5914.12
    pyridine 10604.47
    3-pentanone 6132.65
    furfural 5815.43
    n-dodecane 184.68
    diethylene glycol 2357.41
    diisopropyl ether 3375.43
    tert-amyl alcohol 9183.8
    acetylacetone 7722.45
    n-hexadecane 224.2
    acetophenone 3049.59
    methyl propionate 5873.95
    isopentyl acetate 7389.9
    trichloroethylene 15277.4
    n-nonanol 1776.45
    cyclohexanol 7479.23
    benzyl alcohol 2498.29
    2-ethylhexanol 3425.03
    isooctanol 1718.21
    dipropyl ether 5494.73
    1,2-dichlorobenzene 3574.61
    ethyl lactate 1578.68
    propylene carbonate 4496.53
    n-methylformamide 5005.98
    2-pentanol 6458.87
    n-pentane 1681.56
    1-propoxy-2-propanol 5270.88
    1-methoxy-2-propyl acetate 4757.6
    2-(2-methoxypropoxy) propanol 2141.58
    mesitylene 1303.35
    ε-caprolactone 9975.11
    p-cymene 1115.99
    epichlorohydrin 10287.07
    1,1,1-trichloroethane 10383.21
    2-aminoethanol 1983.94
    morpholine-4-carbaldehyde 5868.26
    sulfolane 8054.91
    2,2,4-trimethylpentane 571.8
    2-methyltetrahydrofuran 12766.16
    n-hexyl acetate 5606.43
    isooctane 453.81
    2-(2-butoxyethoxy)ethanol 3362.16
    sec-butyl acetate 5428.35
    tert-butyl acetate 6299.37
    decalin 963.18
    glycerin 1116.54
    diglyme 6674.07
    acrylic acid 2946.43
    isopropyl myristate 1424.14
    n-butyric acid 10055.29
    acetyl acetate 4612.37
    di(2-ethylhexyl) phthalate 1020.49
    ethyl propionate 6120.22
    nitromethane 10599.72
    1,2-diethoxyethane 8095.59
    benzonitrile 4752.68
    trioctyl phosphate 803.94
    1-bromopropane 9528.06
    gamma-valerolactone 11329.99
    n-decanol 1092.27
    triethyl phosphate 1286.12
    4-methyl-2-pentanol 2873.53
    propionitrile 8726.72
    vinylene carbonate 3927.23
    1,1,2-trichlorotrifluoroethane 5572.47
    DMS 2439.31
    cumene 1246.86
    2-octanol 1766.86
    2-hexanone 8470.17
    octyl acetate 1752.69
    limonene 2123.17
    1,2-dimethoxyethane 11375.0
    ethyl orthosilicate 1372.14
    tributyl phosphate 1195.2
    diacetone alcohol 4633.35
    N,N-dimethylaniline 1945.58
    acrylonitrile 8183.23
    aniline 4053.59
    1,3-propanediol 3622.84
    bromobenzene 5515.2
    dibromomethane 11876.26
    1,1,2,2-tetrachloroethane 12344.11
    2-methyl-cyclohexyl acetate 2653.7
    tetrabutyl urea 1442.17
    diisobutyl methanol 1695.5
    2-phenylethanol 2399.23
    styrene 3181.71
    dioctyl adipate 1867.86
    dimethyl sulfate 1627.22
    ethyl butyrate 5453.96
    methyl lactate 1444.04
    butyl lactate 2647.74
    diethyl carbonate 2505.76
    propanediol butyl ether 2551.07
    triethyl orthoformate 2827.56
    p-tert-butyltoluene 1008.32
    methyl 4-tert-butylbenzoate 1889.99
    morpholine 14423.57
    tert-butylamine 7906.04
    n-dodecanol 746.93
    dimethoxymethane 5290.13
    ethylene carbonate 3970.55
    cyrene 1504.71
    2-ethoxyethyl acetate 4643.84
    2-ethylhexyl acetate 5406.18
    1,2,4-trichlorobenzene 3713.81
    4-methylpyridine 10232.25
    dibutyl ether 5358.87
    2,6-dimethyl-4-heptanol 1695.5
    DEF 9776.02
    dimethyl isosorbide 3219.12
    tetrachloroethylene 8402.17
    eugenol 1788.2
    triacetin 2857.12
    span 80 2203.46
    1,4-butanediol 1432.71
    1,1-dichloroethane 13377.08
    2-methyl-1-pentanol 5228.72
    methyl formate 2922.42
    2-methyl-1-butanol 6669.1
    n-decane 421.89
    butyronitrile 10682.23
    3,7-dimethyl-1-octanol 2205.28
    1-chlorooctane 1897.2
    1-chlorotetradecane 503.78
    n-nonane 480.62
    undecane 260.29
    tert-butylcyclohexane 864.52
    cyclooctane 692.55
    cyclopentanol 6597.1
    tetrahydropyran 16654.26
    tert-amyl methyl ether 7062.46
    2,5,8-trioxanonane 3479.18
    1-hexene 9273.38
    2-isopropoxyethanol 4194.75
    2,2,2-trifluoroethanol 1113.97
    methyl butyrate 9846.57

    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
Lavender (France) 2a 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.26%