n-Hexyl vanillate

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  • Identifiers

    CAS number
    84375-71-3

    Molecular formula
    C14H20O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 75.4%
    Floral 74.26%
    Balsamic 65.99%
    Spicy 55.37%
    Vanilla 54.57%
    Herbal 42.18%
    Green 41.42%
    Clove 38.57%
    Woody 37.2%
    Fruity 36.95%

     

    Flavor
    Woody 44.67%
    Herbal 35.54%
    Balsam 35.08%
    Spicy 34.61%
    Spice 28.77%
    Warm 27.68%
    Faint 26.01%
    Floral 24.84%
    Bitter 24.31%
    Mild 23.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.13 (weak base)

    Molecular weight
    252.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    367°C

    Flash point

    • 155.24 ˚C est.

  • Synonyms

    • n-Hexyl vanillate
    • 84375-71-3
    • 4-Hydroxy-3-methoxybenzoic acid hexyl ester
    • DTXSID20233353
    • RefChem:830079
    • DTXCID20155844
    • Hexyl vanillate
    • Hexyl 4-hydroxy-3-methoxybenzoate
    • SCHEMBL1025800
    • Hexyl 4-hydroxy-3-methoxybenzoate #
    • Benzoic acid, 4-hydroxy-3-methoxy-, hexyl ester
    • 84375-71-3

  • Applications

    n-Hexyl vanillate (CAS 84375-71-3) is an ester of vanillic acid used primarily as a fragrance ingredient, imparting vanilla-like notes in perfumery and cosmetics. It is also explored for flavor/aroma applications in food processing, subject to regulatory limits. It can function as a solvent or processing aid in coatings, inks, and plastics formulations to deliver or carry fragrance. It serves as an intermediate in the synthesis of other vanilla-derived fragrance compounds for industrial manufacturing. It may appear in some household products, such as cleaners and air fresheners, to impart a vanilla scent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2029.18
    methanol 3979.11
    isopropanol 748.47
    water 0.31
    ethyl acetate 3581.02
    n-propanol 1337.11
    acetone 3473.94
    n-butanol 893.21
    acetonitrile 2225.92
    DMF 5118.88
    toluene 336.13
    isobutanol 627.29
    1,4-dioxane 1201.08
    methyl acetate 2517.74
    THF 2057.97
    2-butanone 2179.7
    n-pentanol 371.34
    sec-butanol 703.85
    n-hexane 6.08
    ethylene glycol 304.68
    NMP 2358.31
    cyclohexane 18.46
    DMSO 5809.11
    n-butyl acetate 792.97
    n-octanol 71.4
    chloroform 1797.11
    n-propyl acetate 869.87
    acetic acid 1894.3
    dichloromethane 3138.58
    cyclohexanone 1740.37
    propylene glycol 351.13
    isopropyl acetate 1343.1
    DMAc 2584.61
    2-ethoxyethanol 1255.88
    isopentanol 603.46
    n-heptane 4.3
    ethyl formate 866.31
    1,2-dichloroethane 2842.65
    n-hexanol 240.0
    2-methoxyethanol 3316.59
    isobutyl acetate 394.74
    tetrachloromethane 133.93
    n-pentyl acetate 324.08
    transcutol 3349.3
    n-heptanol 89.21
    ethylbenzene 125.02
    MIBK 748.82
    2-propoxyethanol 833.8
    tert-butanol 970.53
    MTBE 1117.85
    2-butoxyethanol 325.49
    propionic acid 1218.15
    o-xylene 185.55
    formic acid 905.83
    diethyl ether 1504.79
    m-xylene 205.92
    p-xylene 155.28
    chlorobenzene 571.56
    dimethyl carbonate 959.9
    n-octane 2.92
    formamide 2990.36
    cyclopentanone 2789.99
    2-pentanone 1907.67
    anisole 456.13
    cyclopentyl methyl ether 1078.62
    gamma-butyrolactone 3359.53
    1-methoxy-2-propanol 1861.25
    pyridine 1451.19
    3-pentanone 1272.52
    furfural 1797.18
    n-dodecane 3.67
    diethylene glycol 767.3
    diisopropyl ether 201.42
    tert-amyl alcohol 826.15
    acetylacetone 2346.37
    n-hexadecane 4.47
    acetophenone 528.98
    methyl propionate 2738.79
    isopentyl acetate 624.32
    trichloroethylene 4078.57
    n-nonanol 71.97
    cyclohexanol 552.58
    benzyl alcohol 424.71
    2-ethylhexanol 130.98
    isooctanol 82.68
    dipropyl ether 164.9
    1,2-dichlorobenzene 520.81
    ethyl lactate 303.04
    propylene carbonate 1192.49
    n-methylformamide 3087.51
    2-pentanol 526.61
    n-pentane 8.08
    1-propoxy-2-propanol 496.31
    1-methoxy-2-propyl acetate 860.68
    2-(2-methoxypropoxy) propanol 368.89
    mesitylene 106.89
    ε-caprolactone 1576.58
    p-cymene 69.6
    epichlorohydrin 3859.42
    1,1,1-trichloroethane 1220.41
    2-aminoethanol 792.56
    morpholine-4-carbaldehyde 1931.75
    sulfolane 3313.55
    2,2,4-trimethylpentane 12.64
    2-methyltetrahydrofuran 1508.14
    n-hexyl acetate 366.31
    isooctane 9.17
    2-(2-butoxyethoxy)ethanol 559.64
    sec-butyl acetate 550.7
    tert-butyl acetate 1199.09
    decalin 16.28
    glycerin 546.59
    diglyme 1229.76
    acrylic acid 1078.88
    isopropyl myristate 118.8
    n-butyric acid 1694.53
    acetyl acetate 1500.46
    di(2-ethylhexyl) phthalate 119.08
    ethyl propionate 788.87
    nitromethane 6280.08
    1,2-diethoxyethane 790.05
    benzonitrile 486.57
    trioctyl phosphate 81.03
    1-bromopropane 737.96
    gamma-valerolactone 2811.76
    n-decanol 52.52
    triethyl phosphate 176.68
    4-methyl-2-pentanol 208.8
    propionitrile 1151.09
    vinylene carbonate 1018.18
    1,1,2-trichlorotrifluoroethane 1775.17
    DMS 608.49
    cumene 75.53
    2-octanol 59.08
    2-hexanone 558.05
    octyl acetate 152.76
    limonene 111.02
    1,2-dimethoxyethane 1416.25
    ethyl orthosilicate 163.89
    tributyl phosphate 133.49
    diacetone alcohol 1202.6
    N,N-dimethylaniline 230.64
    acrylonitrile 1801.7
    aniline 661.53
    1,3-propanediol 1168.24
    bromobenzene 581.44
    dibromomethane 1468.49
    1,1,2,2-tetrachloroethane 2657.07
    2-methyl-cyclohexyl acetate 280.0
    tetrabutyl urea 157.64
    diisobutyl methanol 85.84
    2-phenylethanol 304.97
    styrene 195.5
    dioctyl adipate 208.49
    dimethyl sulfate 1403.62
    ethyl butyrate 440.12
    methyl lactate 731.68
    butyl lactate 247.55
    diethyl carbonate 306.28
    propanediol butyl ether 304.75
    triethyl orthoformate 242.21
    p-tert-butyltoluene 66.87
    methyl 4-tert-butylbenzoate 318.09
    morpholine 2137.33
    tert-butylamine 372.5
    n-dodecanol 40.1
    dimethoxymethane 2906.57
    ethylene carbonate 869.62
    cyrene 374.69
    2-ethoxyethyl acetate 718.41
    2-ethylhexyl acetate 416.43
    1,2,4-trichlorobenzene 644.52
    4-methylpyridine 1342.64
    dibutyl ether 143.75
    2,6-dimethyl-4-heptanol 85.84
    DEF 2265.72
    dimethyl isosorbide 656.56
    tetrachloroethylene 1370.89
    eugenol 286.84
    triacetin 457.45
    span 80 250.6
    1,4-butanediol 281.52
    1,1-dichloroethane 1785.01
    2-methyl-1-pentanol 330.0
    methyl formate 1818.12
    2-methyl-1-butanol 605.9
    n-decane 5.58
    butyronitrile 834.92
    3,7-dimethyl-1-octanol 111.5
    1-chlorooctane 52.63
    1-chlorotetradecane 20.51
    n-nonane 4.54
    undecane 4.38
    tert-butylcyclohexane 13.87
    cyclooctane 5.71
    cyclopentanol 625.9
    tetrahydropyran 1183.55
    tert-amyl methyl ether 699.47
    2,5,8-trioxanonane 713.64
    1-hexene 65.27
    2-isopropoxyethanol 669.71
    2,2,2-trifluoroethanol 645.95
    methyl butyrate 996.94

    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