Hexyl propionate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    2445-76-3

    Molecular formula
    C9H18O2

    SMILES
    CCCCCCOC(=O)CC

    Retention indicies (RI)

    • Carbowax: 1326.0

  • Odor profile

    Fruity 96.32%
    Green 84.26%
    Sweet 81.61%
    Apple 64.35%
    Banana 62.37%
    Waxy 56.99%
    Pineapple 56.49%
    Tropical 55.7%
    Pear 52.06%
    Winey 50.59%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -57.5 °C

    Boiling point

    • 73.00 to 74.00 °C. @ 10.00 mm Hg

    Flash point est.
    64.23 ˚C

    Solubility expt.

    • very slightly
    • soluble in alcohol, propylene glycol; insoluble in water

  • Synonyms

    • Hexyl propionate
    • Hexyl propanoate
    • 2445-76-3
    • Propanoic acid, hexyl ester
    • 1-Hexyl propionate
    • 1-Hexyl propanoate
    • Propionic acid, hexyl ester
    • n-Hexyl propionate
    • FEMA No. 2576
    • Hexyl propionate (natural)
    • n-Hexyl n-propionate
    • UNII-8R2W3UA8JV
    • EINECS 219-495-1
    • 8R2W3UA8JV
    • BRN 1752269
    • DTXSID5047582
    • CHEBI:87549
    • AI3-33593
    • HEXYL PROPIONATE [FHFI]
    • DTXCID3027582
    • FEMA 2576
    • WE(6:0/3:0)
    • Hexyl propionic acid
    • MFCD00085197
    • propanoic acid hexyl ester
    • Propionic acid, hexyl ester (6CI,7CI,8CI)
    • Propionic Acid Hexyl Ester
    • SCHEMBL127979
    • CHEMBL3186132
    • Hexyl propionate, >=97%, FG
    • Tox21_302443
    • LMFA07010413
    • AKOS024437729
    • NCGC00256811-01
    • LS-13711
    • CAS-2445-76-3
    • CS-0323894
    • H1330
    • NS00012618
    • E79206
    • Hexyl propionate, natural (US), >=97%, FG
    • Q3407511
    • 219-495-1

  • Applications

    Hexyl propionate (CAS 2445-76-3) is a light fruity-smelling ester widely employed as a slow-evaporating solvent that enhances flow and gloss in nitrocellulose, acrylic and alkyd paints, moderates drying speed in printing inks and UV coatings, acts as a delicate fragrance carrier in perfumes, deodorants and skin-hair care cosmetics, serves as a fruity flavoring agent in foods, functions as a degreasing and metal-cleaning solvent, dissolves resins and binders in leather and rubber industries, improves rheology in adhesives and inks, delivers active ingredients in crop-protection formulations thanks to its good solvency and pleasant odour, and is further used as an intermediate for pharmaceuticals and as an eco-friendly plasticizer for specialty polymers.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12161.44
    methanol 14708.15
    isopropanol 9855.7
    water 0.91
    ethyl acetate 9274.25
    n-propanol 8449.46
    acetone 16429.68
    n-butanol 7508.93
    acetonitrile 11652.48
    DMF 9351.49
    toluene 2671.18
    isobutanol 6491.66
    1,4-dioxane 8185.2
    methyl acetate 6374.59
    THF 9858.74
    2-butanone 9213.98
    n-pentanol 5111.8
    sec-butanol 7562.8
    n-hexane 2101.95
    ethylene glycol 896.42
    NMP 6196.85
    cyclohexane 2002.35
    DMSO 10056.94
    n-butyl acetate 7776.43
    n-octanol 2088.25
    chloroform 13213.56
    n-propyl acetate 6149.62
    acetic acid 8254.57
    dichloromethane 13094.72
    cyclohexanone 10779.98
    propylene glycol 1479.28
    isopropyl acetate 5788.76
    DMAc 5518.88
    2-ethoxyethanol 4484.3
    isopentanol 6894.84
    n-heptane 703.74
    ethyl formate 4723.49
    1,2-dichloroethane 8668.3
    n-hexanol 4761.36
    2-methoxyethanol 7172.98
    isobutyl acetate 3286.63
    tetrachloromethane 2371.47
    n-pentyl acetate 3985.96
    transcutol 13138.31
    n-heptanol 1772.16
    ethylbenzene 1691.11
    MIBK 4037.85
    2-propoxyethanol 5495.45
    tert-butanol 10451.37
    MTBE 9848.81
    2-butoxyethanol 2862.12
    propionic acid 5371.35
    o-xylene 1489.53
    formic acid 1722.0
    diethyl ether 10240.26
    m-xylene 1636.65
    p-xylene 2280.44
    chlorobenzene 3880.14
    dimethyl carbonate 1194.12
    n-octane 298.72
    formamide 2514.05
    cyclopentanone 8927.45
    2-pentanone 8474.4
    anisole 2793.99
    cyclopentyl methyl ether 6003.6
    gamma-butyrolactone 8196.33
    1-methoxy-2-propanol 5428.81
    pyridine 8261.48
    3-pentanone 4703.76
    furfural 5478.65
    n-dodecane 179.89
    diethylene glycol 2722.55
    diisopropyl ether 2394.93
    tert-amyl alcohol 8232.62
    acetylacetone 6489.06
    n-hexadecane 210.87
    acetophenone 2545.63
    methyl propionate 4717.1
    isopentyl acetate 5742.81
    trichloroethylene 13069.29
    n-nonanol 1680.69
    cyclohexanol 6434.39
    benzyl alcohol 2238.23
    2-ethylhexanol 2907.55
    isooctanol 1509.38
    dipropyl ether 3737.75
    1,2-dichlorobenzene 2975.48
    ethyl lactate 1304.91
    propylene carbonate 4102.57
    n-methylformamide 5100.19
    2-pentanol 5621.65
    n-pentane 1277.83
    1-propoxy-2-propanol 4491.27
    1-methoxy-2-propyl acetate 3840.34
    2-(2-methoxypropoxy) propanol 2089.64
    mesitylene 1075.27
    ε-caprolactone 7881.64
    p-cymene 926.29
    epichlorohydrin 8703.39
    1,1,1-trichloroethane 8146.48
    2-aminoethanol 2506.1
    morpholine-4-carbaldehyde 5647.31
    sulfolane 7559.05
    2,2,4-trimethylpentane 500.43
    2-methyltetrahydrofuran 9544.11
    n-hexyl acetate 4695.44
    isooctane 380.92
    2-(2-butoxyethoxy)ethanol 3222.44
    sec-butyl acetate 3695.7
    tert-butyl acetate 4694.39
    decalin 750.15
    glycerin 1566.73
    diglyme 5743.53
    acrylic acid 3645.83
    isopropyl myristate 1254.1
    n-butyric acid 9402.75
    acetyl acetate 3964.56
    di(2-ethylhexyl) phthalate 1001.23
    ethyl propionate 4277.76
    nitromethane 11478.83
    1,2-diethoxyethane 6366.12
    benzonitrile 4203.09
    trioctyl phosphate 765.31
    1-bromopropane 6860.63
    gamma-valerolactone 9081.48
    n-decanol 1085.86
    triethyl phosphate 1083.77
    4-methyl-2-pentanol 2499.91
    propionitrile 7221.83
    vinylene carbonate 3691.5
    1,1,2-trichlorotrifluoroethane 5274.13
    DMS 2226.22
    cumene 1041.87
    2-octanol 1568.45
    2-hexanone 5888.02
    octyl acetate 1608.92
    limonene 1698.29
    1,2-dimethoxyethane 8798.29
    ethyl orthosilicate 1168.86
    tributyl phosphate 1151.5
    diacetone alcohol 3887.03
    N,N-dimethylaniline 1715.8
    acrylonitrile 7474.04
    aniline 3413.41
    1,3-propanediol 3963.38
    bromobenzene 4435.56
    dibromomethane 9483.06
    1,1,2,2-tetrachloroethane 10512.95
    2-methyl-cyclohexyl acetate 2174.8
    tetrabutyl urea 1355.82
    diisobutyl methanol 1412.5
    2-phenylethanol 2220.24
    styrene 2490.21
    dioctyl adipate 1669.76
    dimethyl sulfate 1702.57
    ethyl butyrate 3879.46
    methyl lactate 1428.95
    butyl lactate 2274.07
    diethyl carbonate 1945.97
    propanediol butyl ether 2625.97
    triethyl orthoformate 2120.46
    p-tert-butyltoluene 853.14
    methyl 4-tert-butylbenzoate 1735.71
    morpholine 11216.59
    tert-butylamine 7099.84
    n-dodecanol 755.1
    dimethoxymethane 4325.3
    ethylene carbonate 3394.89
    cyrene 1475.62
    2-ethoxyethyl acetate 3755.58
    2-ethylhexyl acetate 4192.0
    1,2,4-trichlorobenzene 3068.8
    4-methylpyridine 8282.32
    dibutyl ether 3932.88
    2,6-dimethyl-4-heptanol 1412.5
    DEF 7936.09
    dimethyl isosorbide 3019.44
    tetrachloroethylene 7185.73
    eugenol 1740.86
    triacetin 2571.89
    span 80 2168.32
    1,4-butanediol 1581.28
    1,1-dichloroethane 10398.31
    2-methyl-1-pentanol 4553.0
    methyl formate 3297.25
    2-methyl-1-butanol 6053.28
    n-decane 362.51
    butyronitrile 8668.63
    3,7-dimethyl-1-octanol 2082.19
    1-chlorooctane 1583.31
    1-chlorotetradecane 469.06
    n-nonane 406.4
    undecane 240.88
    tert-butylcyclohexane 719.29
    cyclooctane 467.06
    cyclopentanol 5680.64
    tetrahydropyran 11814.72
    tert-amyl methyl ether 5371.87
    2,5,8-trioxanonane 3317.13
    1-hexene 6060.27
    2-isopropoxyethanol 3485.48
    2,2,2-trifluoroethanol 1652.41
    methyl butyrate 6764.23

    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) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.02%
Ambrette seed 2 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 0.2%
Ambrette seed 3 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 0.1%
Chamomile, german (Germany) 2, Living Flower 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.17%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.02%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.06%
Lavandin (Hvar) 8022-15-9 Lavandula x hybrida 0.09%