(4-Methoxyphenyl)methyl ester hexanoic acid

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C14H20O3

    SMILES
    CCCCCC(=O)OCC1=CC=C(C=C1)OC

  • Odor profile

    Fruity 90.93%
    Sweet 74.92%
    Floral 58.49%
    Herbal 43.89%
    Balsamic 40.56%
    Apricot 40.52%
    Green 37.71%
    Pineapple 34.77%
    Berry 33.41%
    Winey 32.94%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.75 (neutral)

    Molecular weight
    236.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point est.
    134.41 ˚C

  • Synonyms

    • (4-Methoxyphenyl)methyl hexanoate
    • p-Anisyl hexanoate
    • 6624-60-8
    • Hexanoic acid, (4-methoxyphenyl)methyl ester
    • XZ19L9AAO8
    • NSC 53807
    • NSC-53807
    • (4-Methoxyphenyl)methyl ester hexanoic acid
    • 4-Methoxybenzyl hexanoate
    • para-anisyl hexanoate
    • Hexanoic acid,(4-methoxyphenyl)methyl ester
    • UNII-XZ19L9AAO8
    • 4-Methoxybenzyl hexanoate #
    • SCHEMBL8084703
    • DTXSID9064423
    • NSC53807
    • Hexanoic acid, p-methoxybenzyl ester
    • Hexanoic acid, 4-methoxybenzyl ester
    • DS-011173
    • NS00035987
    • Q67880044
    • 613-916-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1775.71
    methanol 3068.08
    isopropanol 705.86
    water 0.34
    ethyl acetate 2177.48
    n-propanol 873.98
    acetone 1190.57
    n-butanol 655.77
    acetonitrile 1743.59
    DMF 561.84
    toluene 340.18
    isobutanol 392.53
    1,4-dioxane 1921.62
    methyl acetate 1151.84
    THF 1097.35
    2-butanone 908.03
    n-pentanol 424.49
    sec-butanol 453.91
    n-hexane 7.17
    ethylene glycol 159.71
    NMP 314.18
    cyclohexane 33.98
    DMSO 1519.4
    n-butyl acetate 550.8
    n-octanol 74.89
    chloroform 2497.03
    n-propyl acetate 639.33
    acetic acid 1177.9
    dichloromethane 3403.87
    cyclohexanone 928.64
    propylene glycol 240.15
    isopropyl acetate 690.1
    DMAc 698.95
    2-ethoxyethanol 999.21
    isopentanol 431.74
    n-heptane 5.9
    ethyl formate 668.18
    1,2-dichloroethane 2037.55
    n-hexanol 238.56
    2-methoxyethanol 1677.61
    isobutyl acetate 303.63
    tetrachloromethane 134.02
    n-pentyl acetate 202.92
    transcutol 2499.67
    n-heptanol 78.68
    ethylbenzene 132.64
    MIBK 316.56
    2-propoxyethanol 571.11
    tert-butanol 658.55
    MTBE 534.51
    2-butoxyethanol 246.25
    propionic acid 604.58
    o-xylene 165.25
    formic acid 406.5
    diethyl ether 1035.28
    m-xylene 166.46
    p-xylene 170.24
    chlorobenzene 494.8
    dimethyl carbonate 250.9
    n-octane 3.71
    formamide 870.26
    cyclopentanone 709.55
    2-pentanone 700.9
    anisole 388.33
    cyclopentyl methyl ether 452.06
    gamma-butyrolactone 928.81
    1-methoxy-2-propanol 795.11
    pyridine 1193.87
    3-pentanone 470.89
    furfural 846.77
    n-dodecane 5.34
    diethylene glycol 485.11
    diisopropyl ether 120.61
    tert-amyl alcohol 429.63
    acetylacetone 873.48
    n-hexadecane 6.15
    acetophenone 357.47
    methyl propionate 788.15
    isopentyl acetate 409.6
    trichloroethylene 2878.41
    n-nonanol 72.93
    cyclohexanol 402.87
    benzyl alcohol 339.6
    2-ethylhexanol 115.75
    isooctanol 69.04
    dipropyl ether 158.82
    1,2-dichlorobenzene 400.15
    ethyl lactate 183.3
    propylene carbonate 520.31
    n-methylformamide 575.46
    2-pentanol 320.82
    n-pentane 7.09
    1-propoxy-2-propanol 318.34
    1-methoxy-2-propyl acetate 471.37
    2-(2-methoxypropoxy) propanol 280.98
    mesitylene 91.09
    ε-caprolactone 822.47
    p-cymene 65.46
    epichlorohydrin 1704.84
    1,1,1-trichloroethane 987.79
    2-aminoethanol 452.44
    morpholine-4-carbaldehyde 729.22
    sulfolane 756.11
    2,2,4-trimethylpentane 10.03
    2-methyltetrahydrofuran 778.61
    n-hexyl acetate 248.15
    isooctane 7.88
    2-(2-butoxyethoxy)ethanol 425.24
    sec-butyl acetate 369.02
    tert-butyl acetate 490.44
    decalin 19.6
    glycerin 288.9
    diglyme 971.06
    acrylic acid 434.57
    isopropyl myristate 90.53
    n-butyric acid 994.53
    acetyl acetate 842.52
    di(2-ethylhexyl) phthalate 97.91
    ethyl propionate 496.51
    nitromethane 2185.71
    1,2-diethoxyethane 716.38
    benzonitrile 417.27
    trioctyl phosphate 57.9
    1-bromopropane 710.5
    gamma-valerolactone 1090.06
    n-decanol 53.72
    triethyl phosphate 136.86
    4-methyl-2-pentanol 130.38
    propionitrile 740.69
    vinylene carbonate 532.85
    1,1,2-trichlorotrifluoroethane 806.75
    DMS 312.51
    cumene 76.53
    2-octanol 51.98
    2-hexanone 401.82
    octyl acetate 112.16
    limonene 91.07
    1,2-dimethoxyethane 1246.62
    ethyl orthosilicate 132.89
    tributyl phosphate 93.5
    diacetone alcohol 442.77
    N,N-dimethylaniline 181.45
    acrylonitrile 879.5
    aniline 446.31
    1,3-propanediol 714.72
    bromobenzene 532.57
    dibromomethane 1736.1
    1,1,2,2-tetrachloroethane 1982.86
    2-methyl-cyclohexyl acetate 205.71
    tetrabutyl urea 111.16
    diisobutyl methanol 70.77
    2-phenylethanol 255.51
    styrene 215.65
    dioctyl adipate 162.38
    dimethyl sulfate 293.25
    ethyl butyrate 354.85
    methyl lactate 237.19
    butyl lactate 159.33
    diethyl carbonate 262.99
    propanediol butyl ether 210.79
    triethyl orthoformate 208.98
    p-tert-butyltoluene 60.78
    methyl 4-tert-butylbenzoate 208.49
    morpholine 2222.56
    tert-butylamine 291.96
    n-dodecanol 41.25
    dimethoxymethane 871.6
    ethylene carbonate 485.11
    cyrene 228.74
    2-ethoxyethyl acetate 429.86
    2-ethylhexyl acetate 285.14
    1,2,4-trichlorobenzene 453.68
    4-methylpyridine 869.63
    dibutyl ether 151.42
    2,6-dimethyl-4-heptanol 70.77
    DEF 727.25
    dimethyl isosorbide 429.33
    tetrachloroethylene 1136.3
    eugenol 223.25
    triacetin 322.18
    span 80 203.28
    1,4-butanediol 233.13
    1,1-dichloroethane 1387.12
    2-methyl-1-pentanol 318.43
    methyl formate 422.96
    2-methyl-1-butanol 368.59
    n-decane 7.83
    butyronitrile 736.99
    3,7-dimethyl-1-octanol 92.5
    1-chlorooctane 54.97
    1-chlorotetradecane 23.14
    n-nonane 6.48
    undecane 6.19
    tert-butylcyclohexane 16.3
    cyclooctane 7.27
    cyclopentanol 307.51
    tetrahydropyran 1404.22
    tert-amyl methyl ether 290.4
    2,5,8-trioxanonane 618.54
    1-hexene 80.2
    2-isopropoxyethanol 492.79
    2,2,2-trifluoroethanol 246.66
    methyl butyrate 677.7

    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

Botanical

Name CAS Botanical Proportion
Anise (Colombia) 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.01%