2-Methoxyphenyl benzoate

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  • Identifiers

    CAS number
    531-37-3

    Molecular formula
    C14H12O3

    SMILES
    COC1=CC=CC=C1OC(=O)C2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Balsamic 71.79%
    Sweet 58.35%
    Phenolic 54.35%
    Floral 52.1%
    Spicy 51.7%
    Vanilla 47.86%
    Powdery 42.48%
    Woody 40.59%
    Aromatic 40.44%
    Herbal 37.57%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.05 (neutral)

    Molecular weight
    228.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    333°C

    Flash point est.
    141.86 ˚C

  • Synonyms

    • 2-Methoxyphenyl benzoate
    • 531-37-3
    • Guaiacol benzoate
    • Benzosol
    • Benzoylguaiacol
    • o-Anisyl benzoate
    • (2-methoxyphenyl) benzoate
    • Benzoguaiacol
    • Benzcaine
    • GUAIACYL BENZOATE
    • o-Methoxyphenyl benzoate
    • UNII-ODW913ZA6P
    • ODW913ZA6P
    • Phenol, o-methoxy-, benzoate
    • Phenol, 2-methoxy-, benzoate
    • NSC-3795
    • 2-Methyoxyphenyl benzoate
    • EINECS 208-507-0
    • 1-BENZOYLOXY-2-METHOXYBENZENE
    • AI3-10569
    • GUAIACOL BENZOATE [MI]
    • DTXSID90201180
    • NSC 3795
    • PHENOL, 2-METHOXY-, 1-BENZOATE
    • 2-Methoxyphenylbenzoate
    • MFCD00017153
    • methoxyphenyl benzoate
    • SCHEMBL1671519
    • DTXCID90123671
    • NSC3795
    • CHEBI:134937
    • AKOS003496174
    • FB71151
    • HY-W270591
    • Guaiacol benzoate;2-Methoxyphenylbenzoate
    • AS-58318
    • DA-69807
    • CS-0315864
    • NS00032661
    • E85266
    • Q27285594
    • 208-507-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 59.3
    methanol 68.96
    isopropanol 30.6
    water 0.1
    ethyl acetate 581.2
    n-propanol 52.73
    acetone 398.05
    n-butanol 52.78
    acetonitrile 449.02
    DMF 417.75
    toluene 321.84
    isobutanol 37.62
    1,4-dioxane 478.88
    methyl acetate 493.42
    THF 544.51
    2-butanone 402.34
    n-pentanol 43.31
    sec-butanol 51.68
    n-hexane 12.41
    ethylene glycol 15.7
    NMP 278.58
    cyclohexane 44.06
    DMSO 308.41
    n-butyl acetate 243.79
    n-octanol 37.2
    chloroform 1367.38
    n-propyl acetate 255.91
    acetic acid 245.74
    dichloromethane 1697.63
    cyclohexanone 484.89
    propylene glycol 14.92
    isopropyl acetate 256.41
    DMAc 487.39
    2-ethoxyethanol 131.19
    isopentanol 67.42
    n-heptane 12.01
    ethyl formate 201.95
    1,2-dichloroethane 1369.91
    n-hexanol 56.75
    2-methoxyethanol 231.89
    isobutyl acetate 139.84
    tetrachloromethane 75.74
    n-pentyl acetate 119.39
    transcutol 835.77
    n-heptanol 34.99
    ethylbenzene 138.92
    MIBK 179.45
    2-propoxyethanol 139.58
    tert-butanol 83.62
    MTBE 170.66
    2-butoxyethanol 89.84
    propionic acid 150.78
    o-xylene 147.02
    formic acid 69.43
    diethyl ether 370.55
    m-xylene 134.28
    p-xylene 152.0
    chlorobenzene 470.46
    dimethyl carbonate 262.59
    n-octane 6.92
    formamide 272.99
    cyclopentanone 536.46
    2-pentanone 318.76
    anisole 307.06
    cyclopentyl methyl ether 222.88
    gamma-butyrolactone 686.19
    1-methoxy-2-propanol 134.21
    pyridine 845.96
    3-pentanone 359.51
    furfural 629.28
    n-dodecane 6.39
    diethylene glycol 104.71
    diisopropyl ether 74.45
    tert-amyl alcohol 92.13
    acetylacetone 509.95
    n-hexadecane 7.69
    acetophenone 283.93
    methyl propionate 425.86
    isopentyl acetate 215.45
    trichloroethylene 2323.77
    n-nonanol 38.05
    cyclohexanol 96.03
    benzyl alcohol 143.02
    2-ethylhexanol 55.2
    isooctanol 35.21
    dipropyl ether 101.42
    1,2-dichlorobenzene 391.69
    ethyl lactate 80.24
    propylene carbonate 341.19
    n-methylformamide 212.36
    2-pentanol 46.12
    n-pentane 9.26
    1-propoxy-2-propanol 95.72
    1-methoxy-2-propyl acetate 228.34
    2-(2-methoxypropoxy) propanol 141.74
    mesitylene 77.39
    ε-caprolactone 425.34
    p-cymene 59.14
    epichlorohydrin 1077.79
    1,1,1-trichloroethane 694.68
    2-aminoethanol 33.26
    morpholine-4-carbaldehyde 386.31
    sulfolane 535.94
    2,2,4-trimethylpentane 9.98
    2-methyltetrahydrofuran 315.9
    n-hexyl acetate 160.41
    isooctane 7.09
    2-(2-butoxyethoxy)ethanol 177.68
    sec-butyl acetate 183.34
    tert-butyl acetate 257.66
    decalin 23.23
    glycerin 38.36
    diglyme 525.93
    acrylic acid 181.72
    isopropyl myristate 68.48
    n-butyric acid 208.91
    acetyl acetate 420.99
    di(2-ethylhexyl) phthalate 55.11
    ethyl propionate 250.06
    nitromethane 900.68
    1,2-diethoxyethane 288.86
    benzonitrile 275.83
    trioctyl phosphate 36.2
    1-bromopropane 383.5
    gamma-valerolactone 585.64
    n-decanol 28.83
    triethyl phosphate 96.26
    4-methyl-2-pentanol 39.39
    propionitrile 285.61
    vinylene carbonate 385.33
    1,1,2-trichlorotrifluoroethane 425.07
    DMS 256.64
    cumene 70.83
    2-octanol 28.6
    2-hexanone 191.65
    octyl acetate 76.45
    limonene 76.06
    1,2-dimethoxyethane 408.55
    ethyl orthosilicate 85.09
    tributyl phosphate 56.01
    diacetone alcohol 193.79
    N,N-dimethylaniline 138.12
    acrylonitrile 493.19
    aniline 259.18
    1,3-propanediol 66.79
    bromobenzene 543.18
    dibromomethane 924.5
    1,1,2,2-tetrachloroethane 1364.24
    2-methyl-cyclohexyl acetate 135.84
    tetrabutyl urea 71.86
    diisobutyl methanol 43.34
    2-phenylethanol 129.78
    styrene 210.28
    dioctyl adipate 111.06
    dimethyl sulfate 310.91
    ethyl butyrate 199.65
    methyl lactate 112.56
    butyl lactate 72.18
    diethyl carbonate 163.51
    propanediol butyl ether 68.68
    triethyl orthoformate 129.99
    p-tert-butyltoluene 53.38
    methyl 4-tert-butylbenzoate 152.46
    morpholine 427.65
    tert-butylamine 51.25
    n-dodecanol 23.62
    dimethoxymethane 384.35
    ethylene carbonate 293.07
    cyrene 126.08
    2-ethoxyethyl acetate 214.48
    2-ethylhexyl acetate 173.48
    1,2,4-trichlorobenzene 415.72
    4-methylpyridine 548.74
    dibutyl ether 107.95
    2,6-dimethyl-4-heptanol 43.34
    DEF 392.49
    dimethyl isosorbide 274.35
    tetrachloroethylene 808.9
    eugenol 135.06
    triacetin 206.35
    span 80 84.63
    1,4-butanediol 20.14
    1,1-dichloroethane 731.68
    2-methyl-1-pentanol 62.53
    methyl formate 210.46
    2-methyl-1-butanol 60.96
    n-decane 9.78
    butyronitrile 213.13
    3,7-dimethyl-1-octanol 49.45
    1-chlorooctane 48.02
    1-chlorotetradecane 21.03
    n-nonane 8.67
    undecane 7.62
    tert-butylcyclohexane 16.77
    cyclooctane 16.19
    cyclopentanol 67.08
    tetrahydropyran 402.1
    tert-amyl methyl ether 146.82
    2,5,8-trioxanonane 326.73
    1-hexene 56.29
    2-isopropoxyethanol 96.23
    2,2,2-trifluoroethanol 114.99
    methyl butyrate 297.34

    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