3-Phenyl propyl hexanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6281-40-9

    Molecular formula
    C15H22O2

    SMILES
    CCCCCC(=O)OCCCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Fruity 87.64%
    Sweet 71.75%
    Green 66.11%
    Floral 60.99%
    Herbal 48.59%
    Balsamic 46.39%
    Winey 46.23%
    Rose 44.78%
    Pineapple 41.7%
    Apricot 41.44%

     

    Flavor
    Green 69.67%
    Fruity 66.25%
    Waxy 60.26%
    Sweet 55.29%
    Rose 49.67%
    Floral 45.71%
    Balsam 43.52%
    Honey 38.51%
    Wine 38.16%
    Tropical 34.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.08 (neutral)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 292.00 °C. @ 760.00 mm Hg

    Flash point

    • 142.84 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in oils
    • miscible (in ethanol)

  • Synonyms

    • 3-Phenylpropyl hexanoate
    • 6281-40-9
    • 3-Phenyl propyl hexanoate
    • 3-Phenylpropyl caproate
    • Hexanoic acid, 3-phenylpropyl ester
    • Hydrocinnamyl caproate
    • Hydrocinnamyl hexanoate
    • FEMA No. 2896
    • NSC-5984
    • EINECS 228-490-3
    • NSC-404467
    • Y50D757537
    • DTXSID70211909
    • NSC 5984
    • NSC 404467
    • 3-PHENYLPROPYL HEXANOATE [FHFI]
    • UNII-Y50D757537
    • 3-Phenylpropyl hexanoate #
    • SCHEMBL3253012
    • DTXCID50134400
    • NSC5984
    • CHEBI:196143
    • NSC404467
    • AKOS015951099
    • DB-218187
    • NS00022571
    • Q27294271
    • 228-490-3

  • Applications

    3-Phenyl propyl hexanoate (CAS 6281-40-9) is an aromatic ester commonly used as a fragrance ingredient and fixative in perfumery to help extend scent life. It may be employed in cosmetics and personal care formulations to impart and retain fragrance; it is used in household products such as air fresheners and cleaners for aroma contribution; it is evaluated for use in coatings and inks as a fragrance additive; and it has potential as an aroma or odorant in polymer or plastics applications where controlled release of scent is desired. Application depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3206.9
    methanol 5171.93
    isopropanol 1454.47
    water 0.23
    ethyl acetate 3560.15
    n-propanol 1922.67
    acetone 5251.89
    n-butanol 1583.55
    acetonitrile 3744.72
    DMF 3778.19
    toluene 860.63
    isobutanol 1135.1
    1,4-dioxane 3124.22
    methyl acetate 2279.38
    THF 2805.73
    2-butanone 2697.15
    n-pentanol 994.1
    sec-butanol 1042.97
    n-hexane 101.12
    ethylene glycol 212.51
    NMP 1897.4
    cyclohexane 195.76
    DMSO 5134.07
    n-butyl acetate 1824.34
    n-octanol 248.63
    chloroform 5569.09
    n-propyl acetate 1808.46
    acetic acid 1875.97
    dichloromethane 7533.98
    cyclohexanone 3200.64
    propylene glycol 314.42
    isopropyl acetate 1660.36
    DMAc 2357.14
    2-ethoxyethanol 1408.2
    isopentanol 1156.99
    n-heptane 45.7
    ethyl formate 1443.49
    1,2-dichloroethane 5429.21
    n-hexanol 774.12
    2-methoxyethanol 2310.43
    isobutyl acetate 935.47
    tetrachloromethane 445.09
    n-pentyl acetate 784.99
    transcutol 5203.91
    n-heptanol 261.8
    ethylbenzene 420.64
    MIBK 1108.81
    2-propoxyethanol 1334.84
    tert-butanol 1320.53
    MTBE 1744.07
    2-butoxyethanol 644.93
    propionic acid 1251.8
    o-xylene 417.22
    formic acid 457.94
    diethyl ether 2971.63
    m-xylene 463.63
    p-xylene 487.49
    chlorobenzene 1428.53
    dimethyl carbonate 625.16
    n-octane 22.49
    formamide 1001.21
    cyclopentanone 2769.19
    2-pentanone 2423.61
    anisole 973.13
    cyclopentyl methyl ether 1447.86
    gamma-butyrolactone 2768.15
    1-methoxy-2-propanol 1424.72
    pyridine 2842.23
    3-pentanone 1549.21
    furfural 1942.55
    n-dodecane 20.4
    diethylene glycol 832.76
    diisopropyl ether 457.58
    tert-amyl alcohol 936.14
    acetylacetone 2244.18
    n-hexadecane 24.7
    acetophenone 892.08
    methyl propionate 1919.57
    isopentyl acetate 1355.14
    trichloroethylene 7048.48
    n-nonanol 222.51
    cyclohexanol 1050.44
    benzyl alcohol 693.87
    2-ethylhexanol 441.95
    isooctanol 228.9
    dipropyl ether 760.85
    1,2-dichlorobenzene 1214.22
    ethyl lactate 413.71
    propylene carbonate 1391.08
    n-methylformamide 1848.51
    2-pentanol 846.2
    n-pentane 68.28
    1-propoxy-2-propanol 894.27
    1-methoxy-2-propyl acetate 1174.94
    2-(2-methoxypropoxy) propanol 588.14
    mesitylene 277.45
    ε-caprolactone 2181.9
    p-cymene 189.89
    epichlorohydrin 4067.53
    1,1,1-trichloroethane 2658.12
    2-aminoethanol 624.48
    morpholine-4-carbaldehyde 1893.42
    sulfolane 2720.07
    2,2,4-trimethylpentane 45.76
    2-methyltetrahydrofuran 2147.2
    n-hexyl acetate 907.19
    isooctane 35.69
    2-(2-butoxyethoxy)ethanol 936.59
    sec-butyl acetate 978.3
    tert-butyl acetate 1283.24
    decalin 98.85
    glycerin 371.63
    diglyme 2065.78
    acrylic acid 856.14
    isopropyl myristate 288.4
    n-butyric acid 2192.11
    acetyl acetate 1465.66
    di(2-ethylhexyl) phthalate 249.8
    ethyl propionate 1312.19
    nitromethane 4166.49
    1,2-diethoxyethane 1942.39
    benzonitrile 1039.87
    trioctyl phosphate 170.59
    1-bromopropane 2383.66
    gamma-valerolactone 3192.16
    n-decanol 154.55
    triethyl phosphate 341.23
    4-methyl-2-pentanol 379.34
    propionitrile 1861.29
    vinylene carbonate 1268.93
    1,1,2-trichlorotrifluoroethane 1686.73
    DMS 826.92
    cumene 238.58
    2-octanol 178.95
    2-hexanone 1490.56
    octyl acetate 355.06
    limonene 318.86
    1,2-dimethoxyethane 2564.38
    ethyl orthosilicate 329.39
    tributyl phosphate 264.54
    diacetone alcohol 1000.63
    N,N-dimethylaniline 499.47
    acrylonitrile 2094.49
    aniline 1012.73
    1,3-propanediol 1009.02
    bromobenzene 1675.32
    dibromomethane 4266.05
    1,1,2,2-tetrachloroethane 5061.25
    2-methyl-cyclohexyl acetate 585.86
    tetrabutyl urea 342.28
    diisobutyl methanol 226.83
    2-phenylethanol 589.25
    styrene 691.35
    dioctyl adipate 433.7
    dimethyl sulfate 848.77
    ethyl butyrate 1093.32
    methyl lactate 505.55
    butyl lactate 508.67
    diethyl carbonate 640.1
    propanediol butyl ether 511.22
    triethyl orthoformate 572.28
    p-tert-butyltoluene 171.09
    methyl 4-tert-butylbenzoate 519.12
    morpholine 3825.65
    tert-butylamine 719.84
    n-dodecanol 116.24
    dimethoxymethane 2226.06
    ethylene carbonate 1222.99
    cyrene 481.06
    2-ethoxyethyl acetate 1158.73
    2-ethylhexyl acetate 944.98
    1,2,4-trichlorobenzene 1264.93
    4-methylpyridine 2499.44
    dibutyl ether 663.01
    2,6-dimethyl-4-heptanol 226.83
    DEF 2398.44
    dimethyl isosorbide 960.27
    tetrachloroethylene 2996.68
    eugenol 529.05
    triacetin 808.98
    span 80 480.86
    1,4-butanediol 382.61
    1,1-dichloroethane 3987.4
    2-methyl-1-pentanol 779.53
    methyl formate 1158.42
    2-methyl-1-butanol 1056.5
    n-decane 35.42
    butyronitrile 2015.99
    3,7-dimethyl-1-octanol 284.69
    1-chlorooctane 236.92
    1-chlorotetradecane 80.03
    n-nonane 33.54
    undecane 25.65
    tert-butylcyclohexane 79.6
    cyclooctane 41.44
    cyclopentanol 911.59
    tetrahydropyran 3388.85
    tert-amyl methyl ether 935.27
    2,5,8-trioxanonane 1169.17
    1-hexene 673.88
    2-isopropoxyethanol 901.46
    2,2,2-trifluoroethanol 414.44
    methyl butyrate 1958.7

    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