Propyl heptanoate

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  • Identifiers

    CAS number
    7778-87-2

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCC(=O)OCCC

  • Odor profile

    Fragrance
    Fruity 95.73%
    Green 77.33%
    Winey 69.21%
    Sweet 61.95%
    Apple 58.72%
    Pineapple 55.97%
    Waxy 54.02%
    Oily 53.31%
    Cognac 51.27%
    Fatty 48.73%

     

    Flavor
    Fruity 88.18%
    Green 70.54%
    Sweet 69.39%
    Pineapple 64.37%
    Apple 60.77%
    Fruit 52.0%
    Tropical 50.12%
    Pear 49.17%
    Waxy 46.19%
    Wine 42.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.23 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • -63.5 °C

    Boiling point

    • 207.00 to 208.00 °C. @ 760.00 mm Hg

    Flash point

    • 79.59 ˚C est.

    Solubility expt.

    • soluble in most organic solvents; insoluble in water

  • Synonyms

    • Propyl heptanoate
    • 7778-87-2
    • Heptanoic acid, propyl ester
    • Propyl heptoate
    • Propyl heptylate
    • n-propyl heptanoate
    • n-Propyl n-heptanoate
    • FEMA No. 2948
    • UNII-43257OA2O9
    • EINECS 231-917-6
    • NSC-23045
    • 43257OA2O9
    • AI3-30737
    • PROPYL HEPTANOATE [FHFI]
    • DTXSID90228397
    • NSC 23045
    • n-Propyl heptylate
    • propyl enanthate
    • starbld0009583
    • Fema2948
    • SCHEMBL127669
    • FEMA 2948
    • DTXCID10150888
    • CHEBI:179536
    • HEPTANOIC ACID PROPYL ESTER
    • NSC23045
    • LMFA07011004
    • MFCD00048897
    • AKOS017416996
    • AS-56919
    • NS00022786
    • D95754
    • Q3133331
    • 231-917-6

  • Applications

    Propyl heptanoate (CAS 7778-87-2) is an ester commonly used as a fragrance ingredient in perfumery and cosmetics, contributing fruity notes as an odorant; it is sometimes evaluated as a flavor/aroma component in flavor systems where permissible; as a solvent and processing aid it may be used in industrial manufacturing, including coatings, inks, and cleaning formulations; in household products such as air fresheners and detergents it can function as a fragrance carrier; in certain polymer or adhesive formulations it may serve as a solvent or processing aid. Use is formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14998.6
    methanol 18291.28
    isopropanol 13046.83
    water 0.52
    ethyl acetate 11899.1
    n-propanol 11202.15
    acetone 25365.22
    n-butanol 10082.08
    acetonitrile 14478.74
    DMF 15712.81
    toluene 4264.75
    isobutanol 9016.7
    1,4-dioxane 9878.76
    methyl acetate 8378.49
    THF 13009.94
    2-butanone 13543.18
    n-pentanol 6360.52
    sec-butanol 10544.88
    n-hexane 3491.4
    ethylene glycol 1136.67
    NMP 8755.19
    cyclohexane 3237.37
    DMSO 15962.21
    n-butyl acetate 10280.58
    n-octanol 2619.35
    chloroform 18084.29
    n-propyl acetate 7980.03
    acetic acid 9110.9
    dichloromethane 17242.88
    cyclohexanone 16718.53
    propylene glycol 1983.74
    isopropyl acetate 7048.1
    DMAc 7707.09
    2-ethoxyethanol 5314.12
    isopentanol 9166.36
    n-heptane 971.73
    ethyl formate 6224.94
    1,2-dichloroethane 12563.7
    n-hexanol 6332.37
    2-methoxyethanol 9098.22
    isobutyl acetate 4029.57
    tetrachloromethane 3196.51
    n-pentyl acetate 4995.92
    transcutol 15331.6
    n-heptanol 2213.35
    ethylbenzene 2547.57
    MIBK 5500.41
    2-propoxyethanol 6870.4
    tert-butanol 13027.1
    MTBE 12734.88
    2-butoxyethanol 3443.53
    propionic acid 6966.09
    o-xylene 2234.92
    formic acid 1976.39
    diethyl ether 12781.21
    m-xylene 2408.53
    p-xylene 3331.09
    chlorobenzene 6147.63
    dimethyl carbonate 1728.57
    n-octane 380.17
    formamide 3088.78
    cyclopentanone 13438.79
    2-pentanone 12340.24
    anisole 3978.27
    cyclopentyl methyl ether 8178.34
    gamma-butyrolactone 11431.59
    1-methoxy-2-propanol 6775.94
    pyridine 12776.77
    3-pentanone 6879.05
    furfural 7939.8
    n-dodecane 213.76
    diethylene glycol 3245.53
    diisopropyl ether 3081.4
    tert-amyl alcohol 10472.14
    acetylacetone 8849.91
    n-hexadecane 258.29
    acetophenone 3632.27
    methyl propionate 6541.12
    isopentyl acetate 7562.42
    trichloroethylene 19905.23
    n-nonanol 2059.34
    cyclohexanol 9030.7
    benzyl alcohol 3124.99
    2-ethylhexanol 3764.35
    isooctanol 1870.65
    dipropyl ether 4875.8
    1,2-dichlorobenzene 4604.87
    ethyl lactate 1719.88
    propylene carbonate 5617.75
    n-methylformamide 7492.74
    2-pentanol 7783.26
    n-pentane 1953.57
    1-propoxy-2-propanol 5744.34
    1-methoxy-2-propyl acetate 4740.61
    2-(2-methoxypropoxy) propanol 2505.01
    mesitylene 1519.93
    ε-caprolactone 10743.56
    p-cymene 1266.62
    epichlorohydrin 11434.55
    1,1,1-trichloroethane 11562.07
    2-aminoethanol 3225.2
    morpholine-4-carbaldehyde 7377.56
    sulfolane 11124.3
    2,2,4-trimethylpentane 637.3
    2-methyltetrahydrofuran 12605.18
    n-hexyl acetate 6100.26
    isooctane 492.36
    2-(2-butoxyethoxy)ethanol 3938.71
    sec-butyl acetate 4567.32
    tert-butyl acetate 5767.76
    decalin 1059.86
    glycerin 1983.64
    diglyme 7247.31
    acrylic acid 4942.0
    isopropyl myristate 1578.55
    n-butyric acid 12544.73
    acetyl acetate 4950.42
    di(2-ethylhexyl) phthalate 1217.0
    ethyl propionate 5529.02
    nitromethane 14495.58
    1,2-diethoxyethane 7431.32
    benzonitrile 6154.78
    trioctyl phosphate 959.23
    1-bromopropane 9938.8
    gamma-valerolactone 12703.6
    n-decanol 1319.2
    triethyl phosphate 1329.74
    4-methyl-2-pentanol 3249.9
    propionitrile 10192.83
    vinylene carbonate 5164.52
    1,1,2-trichlorotrifluoroethane 7483.29
    DMS 2913.52
    cumene 1466.2
    2-octanol 1974.21
    2-hexanone 8423.37
    octyl acetate 2002.12
    limonene 2349.69
    1,2-dimethoxyethane 10786.1
    ethyl orthosilicate 1403.47
    tributyl phosphate 1415.31
    diacetone alcohol 4889.35
    N,N-dimethylaniline 2372.21
    acrylonitrile 10627.53
    aniline 5046.05
    1,3-propanediol 4887.36
    bromobenzene 6984.23
    dibromomethane 13109.35
    1,1,2,2-tetrachloroethane 15371.84
    2-methyl-cyclohexyl acetate 2704.68
    tetrabutyl urea 1756.38
    diisobutyl methanol 1820.35
    2-phenylethanol 3008.67
    styrene 3811.41
    dioctyl adipate 2041.92
    dimethyl sulfate 2467.55
    ethyl butyrate 4882.04
    methyl lactate 2029.32
    butyl lactate 2982.22
    diethyl carbonate 2430.62
    propanediol butyl ether 3407.93
    triethyl orthoformate 2565.1
    p-tert-butyltoluene 1153.65
    methyl 4-tert-butylbenzoate 2223.52
    morpholine 14326.55
    tert-butylamine 8760.37
    n-dodecanol 921.61
    dimethoxymethane 6242.64
    ethylene carbonate 4757.27
    cyrene 1752.91
    2-ethoxyethyl acetate 4631.57
    2-ethylhexyl acetate 5434.99
    1,2,4-trichlorobenzene 4663.25
    4-methylpyridine 12464.53
    dibutyl ether 5097.21
    2,6-dimethyl-4-heptanol 1820.35
    DEF 10884.79
    dimethyl isosorbide 3560.18
    tetrachloroethylene 10158.11
    eugenol 2251.64
    triacetin 3194.55
    span 80 2621.48
    1,4-butanediol 1956.29
    1,1-dichloroethane 14603.36
    2-methyl-1-pentanol 5701.9
    methyl formate 4755.35
    2-methyl-1-butanol 8078.52
    n-decane 451.83
    butyronitrile 12578.48
    3,7-dimethyl-1-octanol 2598.76
    1-chlorooctane 2097.71
    1-chlorotetradecane 579.88
    n-nonane 516.91
    undecane 294.46
    tert-butylcyclohexane 932.59
    cyclooctane 738.82
    cyclopentanol 8031.32
    tetrahydropyran 16715.06
    tert-amyl methyl ether 6991.45
    2,5,8-trioxanonane 3949.59
    1-hexene 9034.64
    2-isopropoxyethanol 4037.79
    2,2,2-trifluoroethanol 1879.14
    methyl butyrate 9423.86

    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