Propyl caprate

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  • Identifiers

    CAS number
    30673-60-0

    Molecular formula
    C13H26O2

    SMILES
    CCCCCCCCCC(=O)OCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 81.38%
    Oily 74.38%
    Fatty 70.53%
    Winey 69.64%
    Cognac 60.66%
    Waxy 59.47%
    Sweet 50.57%
    Floral 45.28%
    Brandy 43.14%
    Fermented 42.46%

     

    Flavor
    Waxy 73.79%
    Fruity 73.26%
    Sweet 63.29%
    Green 51.04%
    Soapy 49.58%
    Oily 48.3%
    Floral 44.33%
    Wine 43.52%
    Clean 40.37%
    Pear 39.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    7.68 (neutral)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 107.7 ˚C est.

  • Synonyms

    • Propyl decanoate
    • n-Propyl decanoate
    • propyl caprate
    • 30673-60-0
    • Decanoic acid, propyl ester
    • Propyl caprate (natural)
    • S0HE9GRS1W
    • Propyl caprate (decanoate)
    • EINECS 250-283-1
    • decanoic acid propyl ester
    • MFCD00056329
    • Decanoic acid n-propyl ester
    • AI3-33576
    • CHEBI:86973
    • DTXSID00184713
    • n-Propyl caprate
    • UNII-S0HE9GRS1W
    • Propyl decanoate, ~99%
    • SCHEMBL333896
    • DTXCID40107204
    • AKOS009462955
    • DB-047833
    • CS-0450773
    • NS00022030
    • E79387
    • Q27159304
    • 250-283-1

  • Applications

    Propyl caprate (CAS 30673-60-0) is the propyl ester of hexanoic acid. It may be used as a fragrance ingredient and solvent in fragrance and flavor formulations; as an emollient and lightweight solvent in cosmetics and personal care products; as a fragrance solvent and formulation component in household products; as a processing solvent in coatings, paints, and inks; and as an intermediate or solvent in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10649.64
    methanol 10253.6
    isopropanol 11279.8
    water 0.09
    ethyl acetate 11757.9
    n-propanol 9630.59
    acetone 19568.94
    n-butanol 8417.68
    acetonitrile 9775.01
    DMF 9924.94
    toluene 3666.27
    isobutanol 7689.71
    1,4-dioxane 9531.44
    methyl acetate 7454.59
    THF 12363.74
    2-butanone 12197.86
    n-pentanol 5565.68
    sec-butanol 9216.25
    n-hexane 3572.47
    ethylene glycol 405.95
    NMP 5980.15
    cyclohexane 4186.85
    DMSO 10128.48
    n-butyl acetate 10267.07
    n-octanol 2349.67
    chloroform 14413.31
    n-propyl acetate 8900.56
    acetic acid 4703.32
    dichloromethane 14589.71
    cyclohexanone 15879.91
    propylene glycol 1020.11
    isopropyl acetate 7860.78
    DMAc 5923.45
    2-ethoxyethanol 4709.49
    isopentanol 7683.83
    n-heptane 1197.06
    ethyl formate 5152.21
    1,2-dichloroethane 10940.36
    n-hexanol 4991.51
    2-methoxyethanol 7054.28
    isobutyl acetate 4651.42
    tetrachloromethane 2714.32
    n-pentyl acetate 5646.4
    transcutol 12010.5
    n-heptanol 2091.46
    ethylbenzene 2166.2
    MIBK 5660.63
    2-propoxyethanol 5343.7
    tert-butanol 11366.14
    MTBE 13112.53
    2-butoxyethanol 3313.43
    propionic acid 4576.99
    o-xylene 1966.3
    formic acid 648.19
    diethyl ether 14050.93
    m-xylene 2062.14
    p-xylene 2873.55
    chlorobenzene 4762.66
    dimethyl carbonate 1206.45
    n-octane 447.46
    formamide 1280.53
    cyclopentanone 11394.75
    2-pentanone 11958.66
    anisole 3219.72
    cyclopentyl methyl ether 8246.95
    gamma-butyrolactone 8930.12
    1-methoxy-2-propanol 5850.47
    pyridine 10352.78
    3-pentanone 6332.38
    furfural 5821.06
    n-dodecane 212.8
    diethylene glycol 2031.83
    diisopropyl ether 3466.05
    tert-amyl alcohol 8809.74
    acetylacetone 7699.19
    n-hexadecane 263.93
    acetophenone 3027.71
    methyl propionate 5719.23
    isopentyl acetate 7743.26
    trichloroethylene 14889.27
    n-nonanol 1874.04
    cyclohexanol 8249.07
    benzyl alcohol 2390.94
    2-ethylhexanol 3479.58
    isooctanol 1854.72
    dipropyl ether 6116.16
    1,2-dichlorobenzene 3732.96
    ethyl lactate 1663.07
    propylene carbonate 4823.01
    n-methylformamide 4682.76
    2-pentanol 6920.92
    n-pentane 1939.7
    1-propoxy-2-propanol 5197.69
    1-methoxy-2-propyl acetate 4683.87
    2-(2-methoxypropoxy) propanol 2041.26
    mesitylene 1391.32
    ε-caprolactone 10426.4
    p-cymene 1204.33
    epichlorohydrin 10103.48
    1,1,1-trichloroethane 10672.12
    2-aminoethanol 1648.55
    morpholine-4-carbaldehyde 5729.34
    sulfolane 8199.28
    2,2,4-trimethylpentane 591.07
    2-methyltetrahydrofuran 12976.4
    n-hexyl acetate 6014.97
    isooctane 492.35
    2-(2-butoxyethoxy)ethanol 3186.98
    sec-butyl acetate 5591.86
    tert-butyl acetate 6478.92
    decalin 1094.58
    glycerin 959.34
    diglyme 6632.14
    acrylic acid 2463.29
    isopropyl myristate 1594.2
    n-butyric acid 10116.33
    acetyl acetate 4380.43
    di(2-ethylhexyl) phthalate 1052.78
    ethyl propionate 6213.52
    nitromethane 8726.81
    1,2-diethoxyethane 7548.48
    benzonitrile 4527.94
    trioctyl phosphate 884.21
    1-bromopropane 9949.81
    gamma-valerolactone 12006.69
    n-decanol 1151.2
    triethyl phosphate 1353.47
    4-methyl-2-pentanol 3088.98
    propionitrile 7896.19
    vinylene carbonate 3977.39
    1,1,2-trichlorotrifluoroethane 5225.84
    DMS 2444.67
    cumene 1293.97
    2-octanol 1912.55
    2-hexanone 8533.9
    octyl acetate 1927.65
    limonene 2396.26
    1,2-dimethoxyethane 10715.64
    ethyl orthosilicate 1424.74
    tributyl phosphate 1237.59
    diacetone alcohol 4741.79
    N,N-dimethylaniline 1965.44
    acrylonitrile 7069.53
    aniline 3799.38
    1,3-propanediol 3330.76
    bromobenzene 5625.63
    dibromomethane 11523.76
    1,1,2,2-tetrachloroethane 12444.05
    2-methyl-cyclohexyl acetate 2784.34
    tetrabutyl urea 1562.13
    diisobutyl methanol 1864.82
    2-phenylethanol 2265.59
    styrene 3103.58
    dioctyl adipate 1996.68
    dimethyl sulfate 1623.52
    ethyl butyrate 5758.03
    methyl lactate 1504.78
    butyl lactate 2816.29
    diethyl carbonate 2568.87
    propanediol butyl ether 2557.84
    triethyl orthoformate 2955.46
    p-tert-butyltoluene 1092.39
    methyl 4-tert-butylbenzoate 2043.55
    morpholine 13951.06
    tert-butylamine 7709.24
    n-dodecanol 801.7
    dimethoxymethane 5438.9
    ethylene carbonate 4207.0
    cyrene 1451.39
    2-ethoxyethyl acetate 4592.38
    2-ethylhexyl acetate 5617.76
    1,2,4-trichlorobenzene 3823.93
    4-methylpyridine 9746.77
    dibutyl ether 5861.05
    2,6-dimethyl-4-heptanol 1864.82
    DEF 10072.52
    dimethyl isosorbide 3138.84
    tetrachloroethylene 8259.38
    eugenol 1796.26
    triacetin 3027.69
    span 80 2212.99
    1,4-butanediol 1273.18
    1,1-dichloroethane 13273.18
    2-methyl-1-pentanol 4780.37
    methyl formate 2612.04
    2-methyl-1-butanol 6677.81
    n-decane 508.77
    butyronitrile 10427.01
    3,7-dimethyl-1-octanol 2302.8
    1-chlorooctane 2134.22
    1-chlorotetradecane 571.97
    n-nonane 586.23
    undecane 303.11
    tert-butylcyclohexane 932.66
    cyclooctane 906.64
    cyclopentanol 7304.18
    tetrahydropyran 18315.42
    tert-amyl methyl ether 7003.92
    2,5,8-trioxanonane 3390.0
    1-hexene 9485.09
    2-isopropoxyethanol 3843.14
    2,2,2-trifluoroethanol 963.31
    methyl butyrate 9795.45

    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