2-Methoxybenzyl Benzoate

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  • Identifiers

    CAS number
    64421-25-6

    Molecular formula
    C15H14O3

    SMILES
    COC1=CC=CC=C1COC(=O)C2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Balsamic 73.13%
    Sweet 69.56%
    Floral 59.91%
    Herbal 58.2%
    Fruity 56.24%
    Green 45.95%
    Spicy 41.37%
    Cherry 36.74%
    Anisic 36.19%
    Aromatic 35.16%

     

    Flavor
    Balsam 77.82%
    Sweet 68.26%
    Herbal 59.76%
    Fruity 51.61%
    Floral 51.07%
    Balsamic 47.06%
    Cherry 44.38%
    Strawberry 43.73%
    Almond 42.59%
    Wintergreen 40.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.83 (neutral)

    Molecular weight
    242.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    356°C

    Flash point

    • 162.15 ˚C est.

  • Synonyms

    • 2-Methoxybenzyl benzoate
    • (2-methoxyphenyl)methyl benzoate
    • RefChem:910015
    • o-Methoxybenzyl benzoate
    • Benzenemethanol, 2-methoxy-, benzoate
    • 64421-25-6
    • CHEMBL498647
    • SCHEMBL6667180
    • DTXSID50214675
    • BDBM50479171
    • AKOS017016428
    • Q63392251
    • 64421-25-6

  • Applications

    2-Methoxybenzyl Benzoate (CAS 64421-25-6) is primarily used as a fragrance ingredient and odorant in perfumery, where it often acts as a fixative to help extend scent longevity. It is also employed in cosmetics and personal care formulations as a fragrance component. In household products, it serves as a fragrance additive to impart specific notes and control volatility. Additionally, it is used as an intermediate in organic synthesis for preparing related anisyl benzyl compounds and other fragrant esters, supporting fragrance development and specialty chemical applications; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.67
    methanol 60.82
    isopropanol 25.87
    water 0.09
    ethyl acetate 261.06
    n-propanol 43.11
    acetone 190.15
    n-butanol 44.54
    acetonitrile 216.79
    DMF 269.88
    toluene 178.57
    isobutanol 30.24
    1,4-dioxane 348.45
    methyl acetate 220.95
    THF 458.7
    2-butanone 196.61
    n-pentanol 41.59
    sec-butanol 37.69
    n-hexane 10.08
    ethylene glycol 15.18
    NMP 208.33
    cyclohexane 23.18
    DMSO 349.82
    n-butyl acetate 141.86
    n-octanol 16.09
    chloroform 1269.67
    n-propyl acetate 142.48
    acetic acid 156.04
    dichloromethane 1418.74
    cyclohexanone 282.59
    propylene glycol 17.74
    isopropyl acetate 142.23
    DMAc 329.27
    2-ethoxyethanol 118.46
    isopentanol 50.08
    n-heptane 7.4
    ethyl formate 104.17
    1,2-dichloroethane 1093.16
    n-hexanol 40.32
    2-methoxyethanol 165.67
    isobutyl acetate 82.48
    tetrachloromethane 72.06
    n-pentyl acetate 61.24
    transcutol 740.57
    n-heptanol 20.42
    ethylbenzene 78.21
    MIBK 116.69
    2-propoxyethanol 112.66
    tert-butanol 63.28
    MTBE 108.78
    2-butoxyethanol 64.85
    propionic acid 89.43
    o-xylene 88.8
    formic acid 60.59
    diethyl ether 221.72
    m-xylene 81.91
    p-xylene 81.2
    chlorobenzene 272.8
    dimethyl carbonate 172.65
    n-octane 2.75
    formamide 196.46
    cyclopentanone 340.89
    2-pentanone 162.62
    anisole 206.26
    cyclopentyl methyl ether 181.74
    gamma-butyrolactone 422.99
    1-methoxy-2-propanol 111.47
    pyridine 392.25
    3-pentanone 184.63
    furfural 382.94
    n-dodecane 2.48
    diethylene glycol 96.67
    diisopropyl ether 52.61
    tert-amyl alcohol 64.89
    acetylacetone 289.49
    n-hexadecane 3.03
    acetophenone 171.67
    methyl propionate 201.48
    isopentyl acetate 127.16
    trichloroethylene 1637.37
    n-nonanol 17.83
    cyclohexanol 64.02
    benzyl alcohol 101.74
    2-ethylhexanol 36.42
    isooctanol 21.24
    dipropyl ether 82.18
    1,2-dichlorobenzene 256.91
    ethyl lactate 62.16
    propylene carbonate 204.81
    n-methylformamide 138.65
    2-pentanol 35.62
    n-pentane 7.09
    1-propoxy-2-propanol 82.48
    1-methoxy-2-propyl acetate 173.87
    2-(2-methoxypropoxy) propanol 110.0
    mesitylene 49.29
    ε-caprolactone 227.64
    p-cymene 37.37
    epichlorohydrin 783.87
    1,1,1-trichloroethane 498.97
    2-aminoethanol 33.38
    morpholine-4-carbaldehyde 276.43
    sulfolane 451.94
    2,2,4-trimethylpentane 7.68
    2-methyltetrahydrofuran 236.69
    n-hexyl acetate 74.66
    isooctane 5.67
    2-(2-butoxyethoxy)ethanol 135.43
    sec-butyl acetate 107.76
    tert-butyl acetate 162.77
    decalin 15.44
    glycerin 45.38
    diglyme 383.6
    acrylic acid 110.36
    isopropyl myristate 38.17
    n-butyric acid 120.0
    acetyl acetate 212.04
    di(2-ethylhexyl) phthalate 38.23
    ethyl propionate 146.66
    nitromethane 514.82
    1,2-diethoxyethane 236.66
    benzonitrile 154.93
    trioctyl phosphate 23.27
    1-bromopropane 298.69
    gamma-valerolactone 366.51
    n-decanol 14.16
    triethyl phosphate 76.82
    4-methyl-2-pentanol 29.73
    propionitrile 151.03
    vinylene carbonate 223.66
    1,1,2-trichlorotrifluoroethane 352.08
    DMS 153.23
    cumene 44.44
    2-octanol 13.42
    2-hexanone 117.77
    octyl acetate 42.74
    limonene 51.56
    1,2-dimethoxyethane 283.33
    ethyl orthosilicate 71.23
    tributyl phosphate 38.24
    diacetone alcohol 141.11
    N,N-dimethylaniline 105.27
    acrylonitrile 237.23
    aniline 167.1
    1,3-propanediol 55.02
    bromobenzene 324.87
    dibromomethane 814.35
    1,1,2,2-tetrachloroethane 1127.04
    2-methyl-cyclohexyl acetate 95.26
    tetrabutyl urea 49.95
    diisobutyl methanol 30.27
    2-phenylethanol 88.07
    styrene 120.76
    dioctyl adipate 72.26
    dimethyl sulfate 248.44
    ethyl butyrate 129.77
    methyl lactate 85.39
    butyl lactate 49.94
    diethyl carbonate 106.7
    propanediol butyl ether 47.48
    triethyl orthoformate 98.73
    p-tert-butyltoluene 35.15
    methyl 4-tert-butylbenzoate 111.38
    morpholine 301.31
    tert-butylamine 40.69
    n-dodecanol 12.21
    dimethoxymethane 283.16
    ethylene carbonate 174.5
    cyrene 112.48
    2-ethoxyethyl acetate 131.42
    2-ethylhexyl acetate 102.45
    1,2,4-trichlorobenzene 292.66
    4-methylpyridine 267.98
    dibutyl ether 55.63
    2,6-dimethyl-4-heptanol 30.27
    DEF 215.98
    dimethyl isosorbide 227.33
    tetrachloroethylene 617.92
    eugenol 97.77
    triacetin 132.74
    span 80 65.42
    1,4-butanediol 23.26
    1,1-dichloroethane 564.08
    2-methyl-1-pentanol 51.3
    methyl formate 123.41
    2-methyl-1-butanol 46.61
    n-decane 3.79
    butyronitrile 117.46
    3,7-dimethyl-1-octanol 26.62
    1-chlorooctane 21.89
    1-chlorotetradecane 10.33
    n-nonane 3.37
    undecane 2.94
    tert-butylcyclohexane 11.77
    cyclooctane 8.56
    cyclopentanol 52.62
    tetrahydropyran 271.07
    tert-amyl methyl ether 99.12
    2,5,8-trioxanonane 244.71
    1-hexene 44.17
    2-isopropoxyethanol 88.22
    2,2,2-trifluoroethanol 80.44
    methyl butyrate 164.89

    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