Propyl octanoate

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  • Identifiers

    CAS number
    624-13-5

    Molecular formula
    C11H22O2

    SMILES
    CCCCCCCC(=O)OCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 92.65%
    Winey 73.99%
    Green 66.89%
    Oily 66.26%
    Fatty 59.85%
    Sweet 59.01%
    Cognac 58.95%
    Waxy 56.9%
    Floral 46.74%
    Pineapple 44.44%

     

    Flavor
    Fruity 84.26%
    Green 68.44%
    Sweet 66.77%
    Waxy 60.98%
    Apple 53.52%
    Pineapple 52.07%
    Pear 48.22%
    Tropical 47.56%
    Fruit 47.23%
    Wine 45.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.19 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    224°C

    Flash point

    • 90.05 ˚C est.

  • Synonyms

    • Propyl octanoate
    • Propyl caprylate
    • 624-13-5
    • Octanoic acid, propyl ester
    • Propyl n-Octanoate
    • octanoic acid propyl ester
    • VU5LA9XGW7
    • n-propyl octanoate
    • n-Propyl n-octanoate
    • NSC-23736
    • DTXSID9060782
    • CHEBI:87374
    • 4-02-00-00987 (Beilstein Handbook Reference)
    • EINECS 210-830-7
    • NSC 23736
    • BRN 1759126
    • AI3-30979
    • MFCD00056317
    • UNII-VU5LA9XGW7
    • n-Octanoic Acid Propyl Ester
    • SCHEMBL333554
    • DTXCID1043330
    • NSC23736
    • AKOS009513580
    • HY-W127535
    • AS-59227
    • DB-256008
    • CS-0185761
    • NS00013165
    • P2113
    • D92187
    • Q27159567
    • 210-830-7

  • Applications

    Propyl octanoate (CAS 624-13-5) is widely used in perfumery as a fragrance ingredient and solvent, contributing fruity and floral notes while acting as a medium to dissolve other aroma compounds; it may also be evaluated as a flavor ingredient in certain taste formulations. In cosmetics and personal care, it serves as a solvent and carrier for active ingredients and fragrances, supporting lotion and cream formulations. It is used in household products such as cleaners and air fresheners as a fragrance solvent, and in industrial applications as a solvent component in coatings, inks, and adhesives where moderate evaporation and solvency are desirable, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11691.24
    methanol 12890.23
    isopropanol 10401.12
    water 0.19
    ethyl acetate 9974.71
    n-propanol 8979.51
    acetone 17531.06
    n-butanol 7860.14
    acetonitrile 10163.41
    DMF 9424.69
    toluene 3255.07
    isobutanol 7052.24
    1,4-dioxane 8185.8
    methyl acetate 6580.14
    THF 10508.28
    2-butanone 10252.51
    n-pentanol 5451.04
    sec-butanol 8440.28
    n-hexane 2956.85
    ethylene glycol 637.21
    NMP 5463.57
    cyclohexane 2877.62
    DMSO 10001.05
    n-butyl acetate 8799.58
    n-octanol 2202.79
    chloroform 13858.39
    n-propyl acetate 6810.23
    acetic acid 5754.38
    dichloromethane 13719.64
    cyclohexanone 12779.26
    propylene glycol 1303.56
    isopropyl acetate 6245.88
    DMAc 5103.22
    2-ethoxyethanol 4275.68
    isopentanol 7162.26
    n-heptane 919.05
    ethyl formate 4807.13
    1,2-dichloroethane 9559.98
    n-hexanol 5211.68
    2-methoxyethanol 6587.35
    isobutyl acetate 3542.1
    tetrachloromethane 2392.81
    n-pentyl acetate 4348.85
    transcutol 11988.78
    n-heptanol 1889.14
    ethylbenzene 1956.51
    MIBK 4471.09
    2-propoxyethanol 5414.31
    tert-butanol 10280.7
    MTBE 10514.24
    2-butoxyethanol 2909.4
    propionic acid 4706.98
    o-xylene 1746.34
    formic acid 1001.81
    diethyl ether 11270.11
    m-xylene 1871.93
    p-xylene 2531.13
    chlorobenzene 4500.39
    dimethyl carbonate 1142.25
    n-octane 360.38
    formamide 1635.22
    cyclopentanone 9645.78
    2-pentanone 9616.62
    anisole 2942.25
    cyclopentyl methyl ether 6557.93
    gamma-butyrolactone 8018.12
    1-methoxy-2-propanol 5272.71
    pyridine 9156.55
    3-pentanone 5143.06
    furfural 5474.5
    n-dodecane 197.07
    diethylene glycol 2357.29
    diisopropyl ether 2739.2
    tert-amyl alcohol 8202.62
    acetylacetone 6713.54
    n-hexadecane 237.26
    acetophenone 2677.41
    methyl propionate 5019.64
    isopentyl acetate 6594.47
    trichloroethylene 14082.78
    n-nonanol 1745.14
    cyclohexanol 7066.54
    benzyl alcohol 2330.14
    2-ethylhexanol 3225.11
    isooctanol 1621.39
    dipropyl ether 4550.66
    1,2-dichlorobenzene 3410.28
    ethyl lactate 1403.67
    propylene carbonate 4181.53
    n-methylformamide 4666.09
    2-pentanol 6337.04
    n-pentane 1614.68
    1-propoxy-2-propanol 4782.7
    1-methoxy-2-propyl acetate 4023.73
    2-(2-methoxypropoxy) propanol 2032.22
    mesitylene 1223.71
    ε-caprolactone 8471.49
    p-cymene 1063.22
    epichlorohydrin 8952.38
    1,1,1-trichloroethane 9039.73
    2-aminoethanol 2106.68
    morpholine-4-carbaldehyde 5078.87
    sulfolane 7466.59
    2,2,4-trimethylpentane 520.88
    2-methyltetrahydrofuran 10349.07
    n-hexyl acetate 5009.37
    isooctane 432.61
    2-(2-butoxyethoxy)ethanol 3172.96
    sec-butyl acetate 4111.59
    tert-butyl acetate 5030.41
    decalin 903.57
    glycerin 1244.31
    diglyme 5865.01
    acrylic acid 2966.34
    isopropyl myristate 1388.17
    n-butyric acid 9512.91
    acetyl acetate 3941.4
    di(2-ethylhexyl) phthalate 1019.83
    ethyl propionate 4699.55
    nitromethane 9054.79
    1,2-diethoxyethane 6415.71
    benzonitrile 4446.02
    trioctyl phosphate 803.24
    1-bromopropane 8281.69
    gamma-valerolactone 9763.39
    n-decanol 1125.98
    triethyl phosphate 1138.09
    4-methyl-2-pentanol 2753.75
    propionitrile 7466.12
    vinylene carbonate 3656.22
    1,1,2-trichlorotrifluoroethane 5173.44
    DMS 2245.29
    cumene 1148.2
    2-octanol 1676.41
    2-hexanone 6940.55
    octyl acetate 1706.09
    limonene 2023.69
    1,2-dimethoxyethane 8818.42
    ethyl orthosilicate 1199.9
    tributyl phosphate 1141.87
    diacetone alcohol 3917.25
    N,N-dimethylaniline 1770.04
    acrylonitrile 7237.42
    aniline 3602.78
    1,3-propanediol 3543.11
    bromobenzene 5155.1
    dibromomethane 10638.66
    1,1,2,2-tetrachloroethane 11291.79
    2-methyl-cyclohexyl acetate 2331.04
    tetrabutyl urea 1412.51
    diisobutyl methanol 1614.4
    2-phenylethanol 2315.87
    styrene 2836.73
    dioctyl adipate 1768.99
    dimethyl sulfate 1555.08
    ethyl butyrate 4419.6
    methyl lactate 1441.93
    butyl lactate 2396.18
    diethyl carbonate 2146.36
    propanediol butyl ether 2550.29
    triethyl orthoformate 2274.05
    p-tert-butyltoluene 971.74
    methyl 4-tert-butylbenzoate 1773.64
    morpholine 11813.44
    tert-butylamine 7072.3
    n-dodecanol 790.24
    dimethoxymethane 4695.34
    ethylene carbonate 3606.21
    cyrene 1402.46
    2-ethoxyethyl acetate 3774.54
    2-ethylhexyl acetate 4666.2
    1,2,4-trichlorobenzene 3483.2
    4-methylpyridine 8808.93
    dibutyl ether 4620.3
    2,6-dimethyl-4-heptanol 1614.4
    DEF 8018.27
    dimethyl isosorbide 2964.24
    tetrachloroethylene 7406.34
    eugenol 1740.18
    triacetin 2612.74
    span 80 2162.39
    1,4-butanediol 1453.12
    1,1-dichloroethane 11735.45
    2-methyl-1-pentanol 4638.12
    methyl formate 2799.34
    2-methyl-1-butanol 6198.35
    n-decane 425.37
    butyronitrile 9675.49
    3,7-dimethyl-1-octanol 2155.02
    1-chlorooctane 1814.53
    1-chlorotetradecane 511.11
    n-nonane 488.92
    undecane 271.46
    tert-butylcyclohexane 804.68
    cyclooctane 671.94
    cyclopentanol 6179.26
    tetrahydropyran 14110.88
    tert-amyl methyl ether 5747.16
    2,5,8-trioxanonane 3260.16
    1-hexene 7962.85
    2-isopropoxyethanol 3374.39
    2,2,2-trifluoroethanol 1114.98
    methyl butyrate 7731.42

    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