Hexyl anisate

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  • Identifiers

    CAS number
    71607-26-6

    Molecular formula
    C14H20O3

    SMILES
    CCCCCCOC(=O)C1=CC=C(C=C1)OC

  • Odor profile

    Fragrance
    Floral 80.4%
    Sweet 73.05%
    Green 70.52%
    Balsamic 66.56%
    Herbal 63.96%
    Fruity 57.39%
    Spicy 41.15%
    Woody 40.23%
    Fresh 39.09%
    Anisic 38.01%

     

    Flavor
    Balsam 59.43%
    Fruity 45.14%
    Green 40.91%
    Floral 39.5%
    Herbal 37.52%
    Woody 33.25%
    Waxy 32.09%
    Amber 31.46%
    Jasmin 28.87%
    Oily 28.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.39 (neutral)

    Molecular weight
    236.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    328°C

    Flash point

    • 139.82 ˚C est.

  • Synonyms

    • Hexyl anisate
    • Hexyl 4-methoxybenzoate
    • 71607-26-6
    • EINECS 275-670-2
    • DTXSID60221850
    • p-Methoxybenzoic acid, hexyl ester
    • 81542-09-8
    • hexyl para-anisate
    • Hexyl 4-methoxybenzoate #
    • SCHEMBL22498317
    • DTXCID90144341
    • NSC309837
    • Benzoicacid, 4-methoxy-, hexyl ester
    • NSC-309837
    • DS-010482
    • NS00037253
    • 275-670-2

  • Applications

    Hexyl anisate (CAS 71607-26-6) is primarily used as an odorant and fragrance ingredient in perfumery, where its anisic, sweet, and warm notes contribute to scent profiles and it can act as a fixative to help slow the evaporation of other aroma components. It is commonly employed in cosmetics and personal care products such as perfumes, lotions, and bath products to impart a lasting floral-anisic note. In household products and air fresheners, hexyl anisate provides a characteristic fragrance component that enhances scent perception. It may be evaluated for use in certain flavor formulations where permitted to impart anisette like notes. Additionally, it can serve as a chemical intermediate in the synthesis of more complex aroma compounds used in fragrance and flavor applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1081.32
    methanol 1659.83
    isopropanol 535.25
    water 0.13
    ethyl acetate 2902.0
    n-propanol 833.71
    acetone 3569.64
    n-butanol 737.93
    acetonitrile 2612.36
    DMF 3453.72
    toluene 1035.21
    isobutanol 540.51
    1,4-dioxane 1745.27
    methyl acetate 1893.08
    THF 2167.83
    2-butanone 2236.37
    n-pentanol 472.51
    sec-butanol 570.26
    n-hexane 48.55
    ethylene glycol 147.86
    NMP 2674.95
    cyclohexane 119.47
    DMSO 5318.21
    n-butyl acetate 1118.11
    n-octanol 115.07
    chloroform 5448.15
    n-propyl acetate 1149.42
    acetic acid 1646.25
    dichloromethane 7415.44
    cyclohexanone 2747.97
    propylene glycol 215.63
    isopropyl acetate 1215.66
    DMAc 2260.13
    2-ethoxyethanol 1037.21
    isopentanol 618.82
    n-heptane 17.2
    ethyl formate 891.29
    1,2-dichloroethane 6222.75
    n-hexanol 336.89
    2-methoxyethanol 1769.46
    isobutyl acetate 567.92
    tetrachloromethane 455.47
    n-pentyl acetate 510.74
    transcutol 4822.05
    n-heptanol 125.58
    ethylbenzene 338.3
    MIBK 878.27
    2-propoxyethanol 818.64
    tert-butanol 782.18
    MTBE 1121.43
    2-butoxyethanol 388.99
    propionic acid 1014.81
    o-xylene 445.32
    formic acid 532.33
    diethyl ether 2031.97
    m-xylene 503.75
    p-xylene 403.61
    chlorobenzene 1759.17
    dimethyl carbonate 804.76
    n-octane 7.81
    formamide 1529.94
    cyclopentanone 3160.2
    2-pentanone 1910.19
    anisole 923.74
    cyclopentyl methyl ether 1440.12
    gamma-butyrolactone 3390.17
    1-methoxy-2-propanol 1178.4
    pyridine 2693.94
    3-pentanone 1536.62
    furfural 2359.31
    n-dodecane 7.53
    diethylene glycol 628.01
    diisopropyl ether 340.1
    tert-amyl alcohol 728.63
    acetylacetone 2303.66
    n-hexadecane 9.43
    acetophenone 902.97
    methyl propionate 2001.76
    isopentyl acetate 865.63
    trichloroethylene 9357.8
    n-nonanol 112.11
    cyclohexanol 778.72
    benzyl alcohol 642.51
    2-ethylhexanol 214.77
    isooctanol 120.89
    dipropyl ether 360.5
    1,2-dichlorobenzene 1476.5
    ethyl lactate 369.09
    propylene carbonate 1390.87
    n-methylformamide 1860.63
    2-pentanol 483.8
    n-pentane 41.6
    1-propoxy-2-propanol 559.11
    1-methoxy-2-propyl acetate 983.67
    2-(2-methoxypropoxy) propanol 517.21
    mesitylene 263.58
    ε-caprolactone 2055.34
    p-cymene 147.12
    epichlorohydrin 4690.87
    1,1,1-trichloroethane 3108.62
    2-aminoethanol 406.08
    morpholine-4-carbaldehyde 2015.38
    sulfolane 3997.84
    2,2,4-trimethylpentane 37.47
    2-methyltetrahydrofuran 1730.4
    n-hexyl acetate 603.79
    isooctane 27.48
    2-(2-butoxyethoxy)ethanol 746.78
    sec-butyl acetate 734.8
    tert-butyl acetate 1175.87
    decalin 65.0
    glycerin 374.04
    diglyme 1709.1
    acrylic acid 1006.17
    isopropyl myristate 195.27
    n-butyric acid 1446.47
    acetyl acetate 1486.56
    di(2-ethylhexyl) phthalate 189.97
    ethyl propionate 977.94
    nitromethane 4924.18
    1,2-diethoxyethane 1330.09
    benzonitrile 1011.0
    trioctyl phosphate 122.63
    1-bromopropane 2105.0
    gamma-valerolactone 2825.09
    n-decanol 80.32
    triethyl phosphate 292.12
    4-methyl-2-pentanol 242.27
    propionitrile 1344.82
    vinylene carbonate 1295.9
    1,1,2-trichlorotrifluoroethane 2423.08
    DMS 820.16
    cumene 185.16
    2-octanol 89.33
    2-hexanone 968.76
    octyl acetate 248.53
    limonene 232.95
    1,2-dimethoxyethane 1576.84
    ethyl orthosilicate 274.23
    tributyl phosphate 215.21
    diacetone alcohol 1012.68
    N,N-dimethylaniline 472.39
    acrylonitrile 1942.68
    aniline 1197.65
    1,3-propanediol 648.39
    bromobenzene 2075.35
    dibromomethane 4351.93
    1,1,2,2-tetrachloroethane 6657.9
    2-methyl-cyclohexyl acetate 459.47
    tetrabutyl urea 265.54
    diisobutyl methanol 135.0
    2-phenylethanol 473.06
    styrene 576.38
    dioctyl adipate 341.44
    dimethyl sulfate 1364.76
    ethyl butyrate 695.83
    methyl lactate 570.25
    butyl lactate 386.46
    diethyl carbonate 489.78
    propanediol butyl ether 396.88
    triethyl orthoformate 409.36
    p-tert-butyltoluene 135.79
    methyl 4-tert-butylbenzoate 465.3
    morpholine 2384.41
    tert-butylamine 448.1
    n-dodecanol 60.07
    dimethoxymethane 1909.33
    ethylene carbonate 1085.44
    cyrene 493.92
    2-ethoxyethyl acetate 982.0
    2-ethylhexyl acetate 670.53
    1,2,4-trichlorobenzene 1698.24
    4-methylpyridine 2442.69
    dibutyl ether 311.98
    2,6-dimethyl-4-heptanol 135.0
    DEF 2461.9
    dimethyl isosorbide 944.25
    tetrachloroethylene 3456.42
    eugenol 450.11
    triacetin 689.95
    span 80 397.07
    1,4-butanediol 237.14
    1,1-dichloroethane 3995.76
    2-methyl-1-pentanol 479.24
    methyl formate 1153.9
    2-methyl-1-butanol 619.91
    n-decane 12.77
    butyronitrile 1180.91
    3,7-dimethyl-1-octanol 175.05
    1-chlorooctane 121.39
    1-chlorotetradecane 43.21
    n-nonane 11.61
    undecane 9.35
    tert-butylcyclohexane 51.13
    cyclooctane 29.39
    cyclopentanol 651.58
    tetrahydropyran 1925.69
    tert-amyl methyl ether 771.99
    2,5,8-trioxanonane 972.21
    1-hexene 305.66
    2-isopropoxyethanol 653.8
    2,2,2-trifluoroethanol 545.91
    methyl butyrate 1350.75

    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