Heptyl propionate

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  • Identifiers

    CAS number
    2216-81-1

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCCOC(=O)CC

  • Odor profile

    Fragrance
    Fruity 90.58%
    Green 82.78%
    Sweet 73.95%
    Floral 66.21%
    Waxy 66.09%
    Herbal 54.42%
    Winey 53.22%
    Fresh 51.25%
    Fatty 50.7%
    Apple 50.65%

     

    Flavor
    Fruity 79.96%
    Green 76.98%
    Sweet 68.86%
    Waxy 62.87%
    Apple 52.65%
    Fruit 49.14%
    Pear 47.51%
    Floral 46.8%
    Tropical 42.64%
    Herbal 42.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.41 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    207°C

    Flash point

    • 77.96 ˚C est.

  • Synonyms

    • HEPTYL PROPIONATE
    • heptyl propanoate
    • n-Heptyl propionate
    • 2216-81-1
    • Propionic acid, heptyl ester
    • Propanoic acid, heptyl ester
    • EINECS 218-698-2
    • AI3-21504
    • DTXSID00176693
    • ENT 21504
    • propanoic acid heptyl ester
    • SCHEMBL1471551
    • DTXCID2099184
    • AKOS006239512
    • NS00027086
    • Q3407512
    • 218-698-2

  • Applications

    Heptyl propionate (CAS 2216-81-1) is an ester of propionic acid and heptanol and is primarily used as a fragrance ingredient and odorant in perfumery and cosmetic formulations, providing a fruity note. It also serves as a solvent or carrier in cosmetics and personal care products, and can function as a fragrance carrier in household cleaners and air fresheners. In industrial settings, it may be used as a processing aid or solvent for coatings, inks, and certain polymers, with potential use in fragrance systems under applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14673.9
    methanol 17600.25
    isopropanol 12549.36
    water 0.34
    ethyl acetate 13132.94
    n-propanol 10933.73
    acetone 24567.17
    n-butanol 9208.17
    acetonitrile 15721.0
    DMF 12091.36
    toluene 3881.54
    isobutanol 8043.15
    1,4-dioxane 10348.32
    methyl acetate 8770.61
    THF 12615.78
    2-butanone 13636.17
    n-pentanol 6389.54
    sec-butanol 9699.41
    n-hexane 3079.09
    ethylene glycol 807.52
    NMP 7217.9
    cyclohexane 2700.47
    DMSO 14849.71
    n-butyl acetate 10681.55
    n-octanol 2411.82
    chloroform 16753.78
    n-propyl acetate 9344.8
    acetic acid 7978.47
    dichloromethane 17392.67
    cyclohexanone 15714.87
    propylene glycol 1532.02
    isopropyl acetate 7685.01
    DMAc 6613.58
    2-ethoxyethanol 5768.03
    isopentanol 8337.05
    n-heptane 899.14
    ethyl formate 6102.42
    1,2-dichloroethane 11790.66
    n-hexanol 5511.24
    2-methoxyethanol 8977.35
    isobutyl acetate 4519.06
    tetrachloromethane 2934.41
    n-pentyl acetate 5316.61
    transcutol 15883.52
    n-heptanol 2036.12
    ethylbenzene 2322.16
    MIBK 5472.14
    2-propoxyethanol 6551.0
    tert-butanol 12868.98
    MTBE 13456.92
    2-butoxyethanol 3426.75
    propionic acid 6313.52
    o-xylene 1999.84
    formic acid 1479.08
    diethyl ether 14474.43
    m-xylene 2204.95
    p-xylene 3027.39
    chlorobenzene 5319.69
    dimethyl carbonate 1457.3
    n-octane 349.98
    formamide 2682.97
    cyclopentanone 12529.55
    2-pentanone 12318.68
    anisole 3875.41
    cyclopentyl methyl ether 8345.82
    gamma-butyrolactone 10507.32
    1-methoxy-2-propanol 6689.07
    pyridine 11611.39
    3-pentanone 6812.16
    furfural 6920.46
    n-dodecane 190.15
    diethylene glycol 2860.35
    diisopropyl ether 3315.08
    tert-amyl alcohol 10115.67
    acetylacetone 8683.11
    n-hexadecane 228.67
    acetophenone 3444.48
    methyl propionate 6560.63
    isopentyl acetate 7662.91
    trichloroethylene 17577.12
    n-nonanol 1886.28
    cyclohexanol 8154.76
    benzyl alcohol 2822.47
    2-ethylhexanol 3586.41
    isooctanol 1775.9
    dipropyl ether 5206.63
    1,2-dichlorobenzene 3968.82
    ethyl lactate 1679.99
    propylene carbonate 5105.11
    n-methylformamide 6661.94
    2-pentanol 6986.49
    n-pentane 1658.77
    1-propoxy-2-propanol 5691.82
    1-methoxy-2-propyl acetate 5051.99
    2-(2-methoxypropoxy) propanol 2428.25
    mesitylene 1396.88
    ε-caprolactone 10542.66
    p-cymene 1179.16
    epichlorohydrin 11412.72
    1,1,1-trichloroethane 11000.46
    2-aminoethanol 2666.48
    morpholine-4-carbaldehyde 6733.7
    sulfolane 9807.53
    2,2,4-trimethylpentane 593.68
    2-methyltetrahydrofuran 13264.37
    n-hexyl acetate 5951.6
    isooctane 457.51
    2-(2-butoxyethoxy)ethanol 3837.7
    sec-butyl acetate 5286.86
    tert-butyl acetate 6312.71
    decalin 941.78
    glycerin 1512.34
    diglyme 7323.75
    acrylic acid 3938.12
    isopropyl myristate 1501.69
    n-butyric acid 11377.44
    acetyl acetate 4961.5
    di(2-ethylhexyl) phthalate 1135.95
    ethyl propionate 6313.74
    nitromethane 13807.11
    1,2-diethoxyethane 8483.23
    benzonitrile 5450.69
    trioctyl phosphate 881.11
    1-bromopropane 9755.62
    gamma-valerolactone 12345.25
    n-decanol 1187.99
    triethyl phosphate 1328.48
    4-methyl-2-pentanol 3044.79
    propionitrile 9595.08
    vinylene carbonate 4562.54
    1,1,2-trichlorotrifluoroethane 6674.81
    DMS 2745.1
    cumene 1352.3
    2-octanol 1871.72
    2-hexanone 8806.96
    octyl acetate 1901.1
    limonene 2186.55
    1,2-dimethoxyethane 11910.86
    ethyl orthosilicate 1423.59
    tributyl phosphate 1331.46
    diacetone alcohol 4997.94
    N,N-dimethylaniline 2199.26
    acrylonitrile 9909.97
    aniline 4627.27
    1,3-propanediol 4390.68
    bromobenzene 6148.77
    dibromomethane 12857.62
    1,1,2,2-tetrachloroethane 13717.17
    2-methyl-cyclohexyl acetate 2725.51
    tetrabutyl urea 1619.03
    diisobutyl methanol 1739.79
    2-phenylethanol 2703.68
    styrene 3516.45
    dioctyl adipate 2011.07
    dimethyl sulfate 2057.16
    ethyl butyrate 5388.4
    methyl lactate 1714.97
    butyl lactate 2898.07
    diethyl carbonate 2545.77
    propanediol butyl ether 3021.57
    triethyl orthoformate 2780.15
    p-tert-butyltoluene 1074.01
    methyl 4-tert-butylbenzoate 2052.33
    morpholine 15212.15
    tert-butylamine 8628.09
    n-dodecanol 817.21
    dimethoxymethane 5976.58
    ethylene carbonate 4361.47
    cyrene 1696.46
    2-ethoxyethyl acetate 4913.52
    2-ethylhexyl acetate 5615.85
    1,2,4-trichlorobenzene 4137.17
    4-methylpyridine 11581.85
    dibutyl ether 5316.52
    2,6-dimethyl-4-heptanol 1739.79
    DEF 10774.41
    dimethyl isosorbide 3598.46
    tetrachloroethylene 9271.62
    eugenol 2053.51
    triacetin 3085.82
    span 80 2442.56
    1,4-butanediol 1724.73
    1,1-dichloroethane 14387.8
    2-methyl-1-pentanol 5724.05
    methyl formate 4046.66
    2-methyl-1-butanol 7407.86
    n-decane 412.38
    butyronitrile 11724.74
    3,7-dimethyl-1-octanol 2392.83
    1-chlorooctane 1945.64
    1-chlorotetradecane 528.98
    n-nonane 471.7
    undecane 263.15
    tert-butylcyclohexane 869.51
    cyclooctane 631.06
    cyclopentanol 7304.05
    tetrahydropyran 16817.02
    tert-amyl methyl ether 7177.2
    2,5,8-trioxanonane 3904.2
    1-hexene 8879.19
    2-isopropoxyethanol 4389.54
    2,2,2-trifluoroethanol 1508.57
    methyl butyrate 10202.25

    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