Hexyl o-anisate

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  • Identifiers

    CAS number
    71605-88-4

    Molecular formula
    C14H20O3

    SMILES
    CCCCCCOC(=O)C1=CC=CC=C1OC

    Safety labels

  • Odor profile

    Fragrance
    Green 84.86%
    Floral 82.39%
    Herbal 70.15%
    Balsamic 66.98%
    Sweet 66.73%
    Fruity 63.19%
    Fresh 46.67%
    Woody 45.68%
    Jasmin 41.11%
    Spicy 37.46%

     

    Flavor
    Balsam 49.84%
    Fruity 45.75%
    Green 44.35%
    Herbal 40.48%
    Floral 39.57%
    Waxy 33.22%
    Woody 32.22%
    Oily 29.67%
    Amber 29.51%
    Jasmin 29.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.21 (neutral)

    Molecular weight
    236.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    318°C

    Flash point

    • 131.5 ˚C est.

  • Synonyms

    • Hexyl o-anisate
    • Hexyl 2-methoxybenzoate
    • 71605-88-4
    • o-Methoxybenzoic acid, hexyl ester
    • EINECS 275-668-1
    • Benzoic acid, 2-methoxy-, hexyl ester
    • Hexyl 2-methoxybenzoate #
    • SCHEMBL7954415
    • SCHEMBL17502739
    • DTXSID50221849
    • NS00037252
    • 71605-88-4

  • Applications

    Hexyl o-anisate (CAS 71605-88-4) is mainly used as a fragrance ingredient and odorant in perfumery, cosmetics, and household products, contributing fruity and anisic notes to formulations. In perfumery, it appears as a component of fragrance systems; in cosmetics/personal care, it is used in creams, lotions, and shampoos to impart scent. In household products such as air fresheners, laundry detergents, and cleaners, it provides a pleasant fragrance. It can also be employed in scented coatings and inks to impart aroma in finished products, subject to regional regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3728.17
    methanol 4544.86
    isopropanol 2086.19
    water 0.25
    ethyl acetate 3936.06
    n-propanol 2709.74
    acetone 5450.01
    n-butanol 2481.36
    acetonitrile 4249.14
    DMF 5672.36
    toluene 1636.13
    isobutanol 1808.6
    1,4-dioxane 3249.1
    methyl acetate 2936.0
    THF 3814.56
    2-butanone 3421.03
    n-pentanol 1044.62
    sec-butanol 1587.11
    n-hexane 80.76
    ethylene glycol 485.48
    NMP 3547.11
    cyclohexane 386.23
    DMSO 5450.39
    n-butyl acetate 1315.39
    n-octanol 246.4
    chloroform 7831.34
    n-propyl acetate 1293.63
    acetic acid 2649.4
    dichloromethane 9628.24
    cyclohexanone 4764.83
    propylene glycol 632.17
    isopropyl acetate 1613.86
    DMAc 2905.91
    2-ethoxyethanol 1554.14
    isopentanol 1624.52
    n-heptane 32.81
    ethyl formate 1907.5
    1,2-dichloroethane 8617.68
    n-hexanol 854.17
    2-methoxyethanol 3800.06
    isobutyl acetate 632.17
    tetrachloromethane 714.56
    n-pentyl acetate 630.87
    transcutol 3171.57
    n-heptanol 273.39
    ethylbenzene 448.36
    MIBK 1113.95
    2-propoxyethanol 1423.59
    tert-butanol 1948.08
    MTBE 1701.46
    2-butoxyethanol 645.32
    propionic acid 1855.55
    o-xylene 578.18
    formic acid 689.94
    diethyl ether 2759.93
    m-xylene 694.71
    p-xylene 544.93
    chlorobenzene 2517.66
    dimethyl carbonate 990.55
    n-octane 18.05
    formamide 1677.41
    cyclopentanone 4398.78
    2-pentanone 3062.35
    anisole 1051.97
    cyclopentyl methyl ether 2035.01
    gamma-butyrolactone 4243.34
    1-methoxy-2-propanol 2182.77
    pyridine 4231.01
    3-pentanone 1949.59
    furfural 3193.26
    n-dodecane 17.02
    diethylene glycol 1173.27
    diisopropyl ether 404.31
    tert-amyl alcohol 1403.79
    acetylacetone 2706.39
    n-hexadecane 21.25
    acetophenone 973.45
    methyl propionate 2571.27
    isopentyl acetate 988.9
    trichloroethylene 11858.2
    n-nonanol 214.31
    cyclohexanol 2209.48
    benzyl alcohol 946.64
    2-ethylhexanol 386.21
    isooctanol 232.47
    dipropyl ether 455.78
    1,2-dichlorobenzene 1842.25
    ethyl lactate 457.2
    propylene carbonate 2055.57
    n-methylformamide 3002.6
    2-pentanol 1219.86
    n-pentane 95.25
    1-propoxy-2-propanol 815.77
    1-methoxy-2-propyl acetate 1002.43
    2-(2-methoxypropoxy) propanol 489.8
    mesitylene 347.52
    ε-caprolactone 3053.78
    p-cymene 186.18
    epichlorohydrin 6905.8
    1,1,1-trichloroethane 4851.63
    2-aminoethanol 1176.39
    morpholine-4-carbaldehyde 2640.32
    sulfolane 4411.91
    2,2,4-trimethylpentane 55.22
    2-methyltetrahydrofuran 2970.82
    n-hexyl acetate 799.59
    isooctane 42.67
    2-(2-butoxyethoxy)ethanol 815.28
    sec-butyl acetate 720.7
    tert-butyl acetate 1329.21
    decalin 104.21
    glycerin 762.95
    diglyme 1835.86
    acrylic acid 1529.61
    isopropyl myristate 243.27
    n-butyric acid 3051.84
    acetyl acetate 1812.91
    di(2-ethylhexyl) phthalate 236.51
    ethyl propionate 1151.49
    nitromethane 5384.09
    1,2-diethoxyethane 1180.86
    benzonitrile 1475.53
    trioctyl phosphate 170.85
    1-bromopropane 3357.06
    gamma-valerolactone 4490.32
    n-decanol 151.19
    triethyl phosphate 279.59
    4-methyl-2-pentanol 437.91
    propionitrile 2630.14
    vinylene carbonate 1871.95
    1,1,2-trichlorotrifluoroethane 3101.69
    DMS 795.84
    cumene 243.43
    2-octanol 185.39
    2-hexanone 1151.67
    octyl acetate 331.38
    limonene 315.76
    1,2-dimethoxyethane 2507.74
    ethyl orthosilicate 256.77
    tributyl phosphate 238.13
    diacetone alcohol 1241.06
    N,N-dimethylaniline 497.41
    acrylonitrile 3381.19
    aniline 1986.1
    1,3-propanediol 1885.59
    bromobenzene 2757.0
    dibromomethane 5911.84
    1,1,2,2-tetrachloroethane 8520.75
    2-methyl-cyclohexyl acetate 461.47
    tetrabutyl urea 320.65
    diisobutyl methanol 201.52
    2-phenylethanol 752.12
    styrene 769.07
    dioctyl adipate 374.29
    dimethyl sulfate 1277.09
    ethyl butyrate 723.63
    methyl lactate 861.75
    butyl lactate 474.87
    diethyl carbonate 486.16
    propanediol butyl ether 557.01
    triethyl orthoformate 398.23
    p-tert-butyltoluene 171.57
    methyl 4-tert-butylbenzoate 508.59
    morpholine 4782.4
    tert-butylamine 1024.51
    n-dodecanol 113.95
    dimethoxymethane 2726.04
    ethylene carbonate 1747.42
    cyrene 544.95
    2-ethoxyethyl acetate 927.8
    2-ethylhexyl acetate 690.13
    1,2,4-trichlorobenzene 2039.85
    4-methylpyridine 3693.37
    dibutyl ether 404.4
    2,6-dimethyl-4-heptanol 201.52
    DEF 3082.76
    dimethyl isosorbide 860.72
    tetrachloroethylene 4511.68
    eugenol 544.12
    triacetin 635.29
    span 80 453.88
    1,4-butanediol 542.46
    1,1-dichloroethane 6683.92
    2-methyl-1-pentanol 870.39
    methyl formate 2053.96
    2-methyl-1-butanol 1607.0
    n-decane 28.57
    butyronitrile 2777.55
    3,7-dimethyl-1-octanol 276.78
    1-chlorooctane 227.36
    1-chlorotetradecane 78.44
    n-nonane 26.06
    undecane 21.14
    tert-butylcyclohexane 73.48
    cyclooctane 68.42
    cyclopentanol 1799.56
    tetrahydropyran 4191.99
    tert-amyl methyl ether 913.6
    2,5,8-trioxanonane 985.31
    1-hexene 481.56
    2-isopropoxyethanol 899.49
    2,2,2-trifluoroethanol 756.4
    methyl butyrate 1701.23

    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