Benzoic acid, 2-hydroxy-, (4-methoxyphenyl)methyl ester

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  • Identifiers

    CAS number
    72845-81-9

    Molecular formula
    C15H14O4

    SMILES
    COC1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 88.57%
    Floral 72.97%
    Balsamic 65.65%
    Herbal 59.72%
    Green 47.3%
    Spicy 46.4%
    Anisic 43.82%
    Aromatic 42.8%
    Vanilla 37.69%
    Phenolic 37.52%

     

    Flavor
    Sweet 64.54%
    Balsam 62.7%
    Herbal 56.45%
    Floral 47.54%
    Wintergreen 42.81%
    Bitter 41.14%
    Balsamic 38.47%
    Powdery 38.03%
    Faint 32.64%
    Flower 30.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.47 (weak base)

    Molecular weight
    258.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    364°C

    Flash point

    • 175.2 ˚C est.

  • Synonyms

    • p-Anisyl salicylate
    • Benzoic acid, 2-hydroxy-, (4-methoxyphenyl)methyl ester
    • 72845-81-9
    • DTXSID2072621
    • RefChem:565555
    • DTXCID0047371
    • (4-methoxyphenyl)methyl 2-hydroxybenzoate
    • SCHEMBL5459296
    • SCHEMBL22283425
    • YOKDOTYEULOJTI-UHFFFAOYSA-N
    • AKOS002550844
    • 72845-81-9

  • Applications

    4-methoxybenzyl salicylate (IUPAC name: Benzoic acid, 2-hydroxy-, (4-methoxyphenyl)methyl ester) is widely used in perfumery as an aroma chemical and fixative to extend fragrance longevity; in cosmetics and personal care it serves as a fragrance ingredient in lotions, creams, shampoos and soaps; in household products it functions as a scent additive in air fresheners, laundry detergents and cleaners; it may be employed as an odorant or fragrance additive in coatings, inks and adhesives; and, as a salicylate ester, it can act as an intermediate or processing aid in fragrance synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 82.11
    methanol 104.41
    isopropanol 70.86
    water 0.01
    ethyl acetate 228.31
    n-propanol 86.24
    acetone 68.83
    n-butanol 57.47
    acetonitrile 120.63
    DMF 46.97
    toluene 44.82
    isobutanol 35.34
    1,4-dioxane 344.07
    methyl acetate 179.8
    THF 629.29
    2-butanone 151.88
    n-pentanol 48.62
    sec-butanol 72.64
    n-hexane 0.51
    ethylene glycol 19.5
    NMP 28.02
    cyclohexane 1.65
    DMSO 437.47
    n-butyl acetate 44.14
    n-octanol 10.15
    chloroform 206.06
    n-propyl acetate 55.59
    acetic acid 82.68
    dichloromethane 203.03
    cyclohexanone 94.73
    propylene glycol 62.38
    isopropyl acetate 77.67
    DMAc 141.87
    2-ethoxyethanol 172.4
    isopentanol 43.91
    n-heptane 1.12
    ethyl formate 47.17
    1,2-dichloroethane 181.62
    n-hexanol 32.59
    2-methoxyethanol 301.43
    isobutyl acetate 28.86
    tetrachloromethane 5.85
    n-pentyl acetate 18.99
    transcutol 490.29
    n-heptanol 12.95
    ethylbenzene 16.43
    MIBK 58.47
    2-propoxyethanol 111.82
    tert-butanol 131.09
    MTBE 77.04
    2-butoxyethanol 46.11
    propionic acid 69.23
    o-xylene 19.35
    formic acid 33.68
    diethyl ether 111.16
    m-xylene 17.66
    p-xylene 17.11
    chlorobenzene 38.14
    dimethyl carbonate 54.57
    n-octane 0.59
    formamide 121.22
    cyclopentanone 112.07
    2-pentanone 86.7
    anisole 70.66
    cyclopentyl methyl ether 89.68
    gamma-butyrolactone 151.35
    1-methoxy-2-propanol 218.2
    pyridine 152.91
    3-pentanone 77.31
    furfural 114.92
    n-dodecane 0.93
    diethylene glycol 109.15
    diisopropyl ether 15.33
    tert-amyl alcohol 88.63
    acetylacetone 136.09
    n-hexadecane 1.1
    acetophenone 54.86
    methyl propionate 121.11
    isopentyl acetate 41.1
    trichloroethylene 280.4
    n-nonanol 11.64
    cyclohexanol 50.95
    benzyl alcohol 56.72
    2-ethylhexanol 18.76
    isooctanol 12.54
    dipropyl ether 30.59
    1,2-dichlorobenzene 32.62
    ethyl lactate 36.53
    propylene carbonate 60.42
    n-methylformamide 55.1
    2-pentanol 40.99
    n-pentane 0.41
    1-propoxy-2-propanol 76.73
    1-methoxy-2-propyl acetate 81.03
    2-(2-methoxypropoxy) propanol 76.06
    mesitylene 9.85
    ε-caprolactone 83.7
    p-cymene 10.05
    epichlorohydrin 356.34
    1,1,1-trichloroethane 72.71
    2-aminoethanol 60.99
    morpholine-4-carbaldehyde 101.95
    sulfolane 154.06
    2,2,4-trimethylpentane 1.25
    2-methyltetrahydrofuran 174.5
    n-hexyl acetate 26.46
    isooctane 0.98
    2-(2-butoxyethoxy)ethanol 100.62
    sec-butyl acetate 41.16
    tert-butyl acetate 86.02
    decalin 1.95
    glycerin 96.66
    diglyme 225.42
    acrylic acid 52.71
    isopropyl myristate 16.57
    n-butyric acid 79.27
    acetyl acetate 83.71
    di(2-ethylhexyl) phthalate 16.33
    ethyl propionate 58.67
    nitromethane 226.89
    1,2-diethoxyethane 111.14
    benzonitrile 45.12
    trioctyl phosphate 10.83
    1-bromopropane 50.63
    gamma-valerolactone 141.38
    n-decanol 10.04
    triethyl phosphate 27.89
    4-methyl-2-pentanol 22.6
    propionitrile 89.97
    vinylene carbonate 55.09
    1,1,2-trichlorotrifluoroethane 146.23
    DMS 47.91
    cumene 9.69
    2-octanol 7.75
    2-hexanone 52.96
    octyl acetate 17.73
    limonene 13.9
    1,2-dimethoxyethane 223.33
    ethyl orthosilicate 25.41
    tributyl phosphate 15.77
    diacetone alcohol 114.73
    N,N-dimethylaniline 32.75
    acrylonitrile 108.33
    aniline 69.22
    1,3-propanediol 115.94
    bromobenzene 37.69
    dibromomethane 101.25
    1,1,2,2-tetrachloroethane 212.81
    2-methyl-cyclohexyl acetate 35.28
    tetrabutyl urea 22.44
    diisobutyl methanol 15.17
    2-phenylethanol 42.17
    styrene 23.07
    dioctyl adipate 30.25
    dimethyl sulfate 75.3
    ethyl butyrate 42.5
    methyl lactate 65.97
    butyl lactate 23.69
    diethyl carbonate 35.28
    propanediol butyl ether 39.16
    triethyl orthoformate 36.53
    p-tert-butyltoluene 9.99
    methyl 4-tert-butylbenzoate 44.1
    morpholine 378.54
    tert-butylamine 38.53
    n-dodecanol 8.51
    dimethoxymethane 194.01
    ethylene carbonate 46.93
    cyrene 59.57
    2-ethoxyethyl acetate 53.76
    2-ethylhexyl acetate 28.45
    1,2,4-trichlorobenzene 45.13
    4-methylpyridine 77.56
    dibutyl ether 22.34
    2,6-dimethyl-4-heptanol 15.17
    DEF 63.96
    dimethyl isosorbide 118.82
    tetrachloroethylene 90.16
    eugenol 44.98
    triacetin 53.19
    span 80 41.37
    1,4-butanediol 31.45
    1,1-dichloroethane 102.05
    2-methyl-1-pentanol 40.48
    methyl formate 45.71
    2-methyl-1-butanol 41.32
    n-decane 1.28
    butyronitrile 56.66
    3,7-dimethyl-1-octanol 16.42
    1-chlorooctane 7.29
    1-chlorotetradecane 3.93
    n-nonane 0.98
    undecane 1.06
    tert-butylcyclohexane 1.75
    cyclooctane 0.69
    cyclopentanol 52.21
    tetrahydropyran 216.07
    tert-amyl methyl ether 56.98
    2,5,8-trioxanonane 162.22
    1-hexene 5.64
    2-isopropoxyethanol 93.45
    2,2,2-trifluoroethanol 26.06
    methyl butyrate 61.98

    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