Benzoic acid, 4-methoxy-, butyl ester

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  • Identifiers

    CAS number
    6946-35-6

    Molecular formula
    C12H16O3

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

  • Odor profile

    Fragrance
    Sweet 77.7%
    Floral 76.92%
    Fruity 58.85%
    Herbal 55.41%
    Balsamic 55.12%
    Anisic 53.55%
    Vanilla 43.22%
    Spicy 43.02%
    Powdery 37.03%
    Aromatic 36.33%

     

    Flavor
    Balsam 62.06%
    Fruity 59.81%
    Floral 40.89%
    Sweet 32.91%
    Balsamic 30.09%
    Berry 28.46%
    Herbal 27.17%
    Strawberry 26.74%
    Wine 26.41%
    Musty 26.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.03 (neutral)

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    297°C

    Flash point

    • 125.45 ˚C est.

  • Synonyms

    • Butyl 4-methoxybenzoate
    • 6946-35-6
    • Benzoic acid, 4-methoxy-, butyl ester
    • 4-methoxy-benzoic acid butyl ester
    • Y15B4AXR8P
    • p-Methoxybenzoic acid butylester
    • NSC-57308
    • n-Butyl anisate
    • butyl p-anisate
    • NSC57308
    • NSC 57308
    • Benzoic acid,4-methoxy-, butyl ester
    • AI3-06073
    • Butyl 4-methoxybenzoate #
    • UNII-Y15B4AXR8P
    • BUTYL P-METHOXYBENZOATE
    • SCHEMBL516998
    • CHEMBL3818741
    • N-BUTYL P-METHOXYBENZOATE
    • DTXSID90219624
    • DXKMHDQQRQRYCI-UHFFFAOYSA-N
    • P-ANISIC ACID, BUTYL ESTER
    • AKOS015889549
    • DS-010463

  • Applications

    Benzoic acid, 4-methoxy-, butyl ester (CAS 6946-35-6) is commonly used in perfumery and fragrance applications as a fragrance ingredient with anisic notes and as a fixative to extend scent duration. It is also used in cosmetics and personal care products as a scent component. In household products, it appears in air fresheners, scented cleaners, and laundry formulations as a fragrance additive. It may be used as an aroma chemical in flavor formulations and can serve as an intermediate in the synthesis of other aroma compounds in industrial manufacturing. Use should comply with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 692.25
    methanol 997.2
    isopropanol 335.0
    water 0.17
    ethyl acetate 1622.67
    n-propanol 514.44
    acetone 2099.19
    n-butanol 505.73
    acetonitrile 1815.65
    DMF 2060.69
    toluene 688.12
    isobutanol 332.07
    1,4-dioxane 1329.87
    methyl acetate 1187.19
    THF 1348.79
    2-butanone 1365.17
    n-pentanol 357.06
    sec-butanol 407.08
    n-hexane 39.23
    ethylene glycol 112.85
    NMP 1574.04
    cyclohexane 92.76
    DMSO 2994.28
    n-butyl acetate 818.45
    n-octanol 99.5
    chloroform 3971.78
    n-propyl acetate 768.15
    acetic acid 1454.51
    dichloromethane 4910.56
    cyclohexanone 1641.6
    propylene glycol 153.6
    isopropyl acetate 680.75
    DMAc 1424.1
    2-ethoxyethanol 759.6
    isopentanol 434.39
    n-heptane 13.11
    ethyl formate 632.98
    1,2-dichloroethane 3583.16
    n-hexanol 263.43
    2-methoxyethanol 1214.37
    isobutyl acetate 372.71
    tetrachloromethane 274.89
    n-pentyl acetate 322.05
    transcutol 3453.99
    n-heptanol 97.59
    ethylbenzene 262.85
    MIBK 527.73
    2-propoxyethanol 576.28
    tert-butanol 578.71
    MTBE 676.27
    2-butoxyethanol 286.38
    propionic acid 701.26
    o-xylene 310.73
    formic acid 461.49
    diethyl ether 1224.72
    m-xylene 335.1
    p-xylene 318.91
    chlorobenzene 1222.28
    dimethyl carbonate 492.29
    n-octane 6.21
    formamide 1196.1
    cyclopentanone 1833.94
    2-pentanone 1171.25
    anisole 702.62
    cyclopentyl methyl ether 818.15
    gamma-butyrolactone 2099.51
    1-methoxy-2-propanol 747.98
    pyridine 1973.91
    3-pentanone 893.47
    furfural 1700.71
    n-dodecane 6.33
    diethylene glycol 459.39
    diisopropyl ether 205.16
    tert-amyl alcohol 547.13
    acetylacetone 1402.03
    n-hexadecane 7.92
    acetophenone 680.93
    methyl propionate 1083.62
    isopentyl acetate 599.67
    trichloroethylene 6261.42
    n-nonanol 94.49
    cyclohexanol 527.12
    benzyl alcohol 525.16
    2-ethylhexanol 169.55
    isooctanol 91.67
    dipropyl ether 237.02
    1,2-dichlorobenzene 1002.75
    ethyl lactate 259.86
    propylene carbonate 931.82
    n-methylformamide 1113.41
    2-pentanol 330.0
    n-pentane 30.57
    1-propoxy-2-propanol 386.05
    1-methoxy-2-propyl acetate 627.53
    2-(2-methoxypropoxy) propanol 411.27
    mesitylene 177.76
    ε-caprolactone 1300.18
    p-cymene 115.99
    epichlorohydrin 2846.26
    1,1,1-trichloroethane 1885.72
    2-aminoethanol 285.95
    morpholine-4-carbaldehyde 1379.95
    sulfolane 2184.92
    2,2,4-trimethylpentane 28.41
    2-methyltetrahydrofuran 1077.99
    n-hexyl acetate 416.79
    isooctane 19.77
    2-(2-butoxyethoxy)ethanol 572.15
    sec-butyl acetate 464.96
    tert-butyl acetate 703.9
    decalin 49.83
    glycerin 275.5
    diglyme 1251.77
    acrylic acid 771.09
    isopropyl myristate 147.79
    n-butyric acid 932.88
    acetyl acetate 997.34
    di(2-ethylhexyl) phthalate 146.15
    ethyl propionate 617.56
    nitromethane 3626.52
    1,2-diethoxyethane 872.83
    benzonitrile 813.5
    trioctyl phosphate 94.35
    1-bromopropane 1187.07
    gamma-valerolactone 1830.83
    n-decanol 67.7
    triethyl phosphate 214.2
    4-methyl-2-pentanol 177.34
    propionitrile 898.41
    vinylene carbonate 935.0
    1,1,2-trichlorotrifluoroethane 1584.03
    DMS 556.74
    cumene 145.44
    2-octanol 71.17
    2-hexanone 678.84
    octyl acetate 185.25
    limonene 170.83
    1,2-dimethoxyethane 1168.4
    ethyl orthosilicate 197.94
    tributyl phosphate 162.8
    diacetone alcohol 649.9
    N,N-dimethylaniline 352.38
    acrylonitrile 1386.85
    aniline 857.7
    1,3-propanediol 484.12
    bromobenzene 1408.76
    dibromomethane 2834.9
    1,1,2,2-tetrachloroethane 4345.37
    2-methyl-cyclohexyl acetate 327.1
    tetrabutyl urea 197.09
    diisobutyl methanol 102.09
    2-phenylethanol 375.79
    styrene 440.47
    dioctyl adipate 260.0
    dimethyl sulfate 818.21
    ethyl butyrate 484.82
    methyl lactate 355.45
    butyl lactate 255.29
    diethyl carbonate 367.4
    propanediol butyl ether 299.45
    triethyl orthoformate 294.1
    p-tert-butyltoluene 104.94
    methyl 4-tert-butylbenzoate 334.6
    morpholine 1673.25
    tert-butylamine 334.43
    n-dodecanol 51.13
    dimethoxymethane 1146.06
    ethylene carbonate 757.94
    cyrene 375.68
    2-ethoxyethyl acetate 613.6
    2-ethylhexyl acetate 472.01
    1,2,4-trichlorobenzene 1152.09
    4-methylpyridine 1759.36
    dibutyl ether 228.19
    2,6-dimethyl-4-heptanol 102.09
    DEF 1398.51
    dimethyl isosorbide 660.32
    tetrachloroethylene 2253.51
    eugenol 338.79
    triacetin 490.49
    span 80 302.62
    1,4-butanediol 172.67
    1,1-dichloroethane 2388.4
    2-methyl-1-pentanol 378.21
    methyl formate 767.44
    2-methyl-1-butanol 431.45
    n-decane 10.45
    butyronitrile 815.6
    3,7-dimethyl-1-octanol 137.96
    1-chlorooctane 89.62
    1-chlorotetradecane 34.53
    n-nonane 9.19
    undecane 7.81
    tert-butylcyclohexane 39.3
    cyclooctane 22.72
    cyclopentanol 412.23
    tetrahydropyran 1287.36
    tert-amyl methyl ether 486.82
    2,5,8-trioxanonane 765.65
    1-hexene 216.42
    2-isopropoxyethanol 466.99
    2,2,2-trifluoroethanol 427.44
    methyl butyrate 860.36

    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